Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: A3BC2D30E12_hP96_192_f_a_c_l2m_m-001

If you are using this page, please cite:
H. Eckert, S. Divilov, M. J. Mehl, D. Hicks, A. C. Zettel, M. Esters. X. Campilongo and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 4. Submitted to Computational Materials Science.

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https://aflow.org/p/FPN8
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Osumilite (KMg$_{2}$Al$_{3}$Si$_{12}$O$_{30}$) Structure: A3BC2D30E12_hP96_192_f_a_c_l2m_m-001

Picture of Structure; Click for Big Picture
Prototype Al$_{3}$KMg$_{2}$O$_{15}$Si$_{12}$
AFLOW prototype label A3BC2D30E12_hP96_192_f_a_c_l2m_m-001
Mineral name osumilite
ICSD 202731
Pearson symbol hP96
Space group number 192
Space group symbol $P6/mcc$
AFLOW prototype command aflow --proto=A3BC2D30E12_hP96_192_f_a_c_l2m_m-001
--params=$a, \allowbreak c/a, \allowbreak x_{4}, \allowbreak y_{4}, \allowbreak x_{5}, \allowbreak y_{5}, \allowbreak z_{5}, \allowbreak x_{6}, \allowbreak y_{6}, \allowbreak z_{6}, \allowbreak x_{7}, \allowbreak y_{7}, \allowbreak z_{7}$

  • We use the data from the Antarctica sample of (Armbruster, 1988). As with most minerals, some of the sites contain mixtures of elements and vacancies. We use the compositions in the American Mineralogist Crystal Structure Database (Downs, 2003):
    • The K (2a) site is 91% potassium and 1% iron, with the remainder of the sites vacant.
    • The Mg (4c) site is 99% magnesium/aluminum and 1% iron.
    • The Al (6f) site is mostly aluminum/magnesium with a trace of iron/manganese/titanium, even though in Table 4 they call it an Fe site.
    • The Si (24m) site is 86% silicon and 14% magnesium.
    • The oxygen sites are all filled.
  • These compositions are very dependent upon where the sample was found. See Table 5 in (Armbruster, 1988) for more details.

\[ \begin{array}{ccc} \mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}} \end{array}\]

Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
$\mathbf{B_{1}}$ = $\frac{1}{4} \, \mathbf{a}_{3}$ = $\frac{1}{4}c \,\mathbf{\hat{z}}$ (2a) K I
$\mathbf{B_{2}}$ = $\frac{3}{4} \, \mathbf{a}_{3}$ = $\frac{3}{4}c \,\mathbf{\hat{z}}$ (2a) K I
$\mathbf{B_{3}}$ = $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ (4c) Mg I
$\mathbf{B_{4}}$ = $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ (4c) Mg I
$\mathbf{B_{5}}$ = $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ (4c) Mg I
$\mathbf{B_{6}}$ = $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ (4c) Mg I
$\mathbf{B_{7}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{3}$ = $\frac{1}{4}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{4}a \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ (6f) Al I
$\mathbf{B_{8}}$ = $\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ = $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{4}a \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ (6f) Al I
$\mathbf{B_{9}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ (6f) Al I
$\mathbf{B_{10}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{3}$ = $\frac{1}{4}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{4}a \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ (6f) Al I
$\mathbf{B_{11}}$ = $\frac{1}{2} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ = $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{4}a \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ (6f) Al I
$\mathbf{B_{12}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ (6f) Al I
$\mathbf{B_{13}}$ = $x_{4} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{2}$ = $\frac{1}{2}a \left(x_{4} + y_{4}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{4} - y_{4}\right) \,\mathbf{\hat{y}}$ (12l) O I
$\mathbf{B_{14}}$ = $- y_{4} \, \mathbf{a}_{1}+\left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}$ = $\frac{1}{2}a \left(x_{4} - 2 y_{4}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{4} \,\mathbf{\hat{y}}$ (12l) O I
$\mathbf{B_{15}}$ = $- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}$ = $- \frac{1}{2}a \left(2 x_{4} - y_{4}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{4} \,\mathbf{\hat{y}}$ (12l) O I
$\mathbf{B_{16}}$ = $- x_{4} \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{2}$ = $- \frac{1}{2}a \left(x_{4} + y_{4}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \left(x_{4} - y_{4}\right) \,\mathbf{\hat{y}}$ (12l) O I
$\mathbf{B_{17}}$ = $y_{4} \, \mathbf{a}_{1}- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}$ = $\frac{1}{2}a \left(- x_{4} + 2 y_{4}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{4} \,\mathbf{\hat{y}}$ (12l) O I
$\mathbf{B_{18}}$ = $\left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}$ = $\frac{1}{2}a \left(2 x_{4} - y_{4}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a y_{4} \,\mathbf{\hat{y}}$ (12l) O I
$\mathbf{B_{19}}$ = $y_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{4} + y_{4}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \left(x_{4} - y_{4}\right) \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (12l) O I
$\mathbf{B_{20}}$ = $\left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{4} - 2 y_{4}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{4} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (12l) O I
$\mathbf{B_{21}}$ = $- x_{4} \, \mathbf{a}_{1}- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(2 x_{4} - y_{4}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a y_{4} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (12l) O I
$\mathbf{B_{22}}$ = $- y_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(x_{4} + y_{4}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{4} - y_{4}\right) \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (12l) O I
$\mathbf{B_{23}}$ = $- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(- x_{4} + 2 y_{4}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{4} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (12l) O I
$\mathbf{B_{24}}$ = $x_{4} \, \mathbf{a}_{1}+\left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(2 x_{4} - y_{4}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{4} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ (12l) O I
$\mathbf{B_{25}}$ = $x_{5} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{5} + y_{5}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{5} - y_{5}\right) \,\mathbf{\hat{y}}+c z_{5} \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{26}}$ = $- y_{5} \, \mathbf{a}_{1}+\left(x_{5} - y_{5}\right) \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{5} - 2 y_{5}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{5} \,\mathbf{\hat{y}}+c z_{5} \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{27}}$ = $- \left(x_{5} - y_{5}\right) \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(2 x_{5} - y_{5}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{5} \,\mathbf{\hat{y}}+c z_{5} \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{28}}$ = $- x_{5} \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(x_{5} + y_{5}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \left(x_{5} - y_{5}\right) \,\mathbf{\hat{y}}+c z_{5} \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{29}}$ = $y_{5} \, \mathbf{a}_{1}- \left(x_{5} - y_{5}\right) \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(- x_{5} + 2 y_{5}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{5} \,\mathbf{\hat{y}}+c z_{5} \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{30}}$ = $\left(x_{5} - y_{5}\right) \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(2 x_{5} - y_{5}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a y_{5} \,\mathbf{\hat{y}}+c z_{5} \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{31}}$ = $y_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{5} + y_{5}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \left(x_{5} - y_{5}\right) \,\mathbf{\hat{y}}- c \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{32}}$ = $\left(x_{5} - y_{5}\right) \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{5} - 2 y_{5}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{5} \,\mathbf{\hat{y}}- c \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{33}}$ = $- x_{5} \, \mathbf{a}_{1}- \left(x_{5} - y_{5}\right) \, \mathbf{a}_{2}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(2 x_{5} - y_{5}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a y_{5} \,\mathbf{\hat{y}}- c \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{34}}$ = $- y_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(x_{5} + y_{5}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{5} - y_{5}\right) \,\mathbf{\hat{y}}- c \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{35}}$ = $- \left(x_{5} - y_{5}\right) \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(- x_{5} + 2 y_{5}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{5} \,\mathbf{\hat{y}}- c \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{36}}$ = $x_{5} \, \mathbf{a}_{1}+\left(x_{5} - y_{5}\right) \, \mathbf{a}_{2}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(2 x_{5} - y_{5}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{5} \,\mathbf{\hat{y}}- c \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{37}}$ = $- x_{5} \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(x_{5} + y_{5}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \left(x_{5} - y_{5}\right) \,\mathbf{\hat{y}}- c z_{5} \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{38}}$ = $y_{5} \, \mathbf{a}_{1}- \left(x_{5} - y_{5}\right) \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(- x_{5} + 2 y_{5}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{5} \,\mathbf{\hat{y}}- c z_{5} \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{39}}$ = $\left(x_{5} - y_{5}\right) \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(2 x_{5} - y_{5}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a y_{5} \,\mathbf{\hat{y}}- c z_{5} \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{40}}$ = $x_{5} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{5} + y_{5}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{5} - y_{5}\right) \,\mathbf{\hat{y}}- c z_{5} \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{41}}$ = $- y_{5} \, \mathbf{a}_{1}+\left(x_{5} - y_{5}\right) \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{5} - 2 y_{5}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{5} \,\mathbf{\hat{y}}- c z_{5} \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{42}}$ = $- \left(x_{5} - y_{5}\right) \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(2 x_{5} - y_{5}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{5} \,\mathbf{\hat{y}}- c z_{5} \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{43}}$ = $- y_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(x_{5} + y_{5}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{5} - y_{5}\right) \,\mathbf{\hat{y}}+c \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{44}}$ = $- \left(x_{5} - y_{5}\right) \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(- x_{5} + 2 y_{5}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{5} \,\mathbf{\hat{y}}+c \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{45}}$ = $x_{5} \, \mathbf{a}_{1}+\left(x_{5} - y_{5}\right) \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(2 x_{5} - y_{5}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{5} \,\mathbf{\hat{y}}+c \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{46}}$ = $y_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{5} + y_{5}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \left(x_{5} - y_{5}\right) \,\mathbf{\hat{y}}+c \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{47}}$ = $\left(x_{5} - y_{5}\right) \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{5} - 2 y_{5}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{5} \,\mathbf{\hat{y}}+c \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{48}}$ = $- x_{5} \, \mathbf{a}_{1}- \left(x_{5} - y_{5}\right) \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(2 x_{5} - y_{5}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a y_{5} \,\mathbf{\hat{y}}+c \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O II
$\mathbf{B_{49}}$ = $x_{6} \, \mathbf{a}_{1}+y_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{6} + y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{6} - y_{6}\right) \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{50}}$ = $- y_{6} \, \mathbf{a}_{1}+\left(x_{6} - y_{6}\right) \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{6} - 2 y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{6} \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{51}}$ = $- \left(x_{6} - y_{6}\right) \, \mathbf{a}_{1}- x_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(2 x_{6} - y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{6} \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{52}}$ = $- x_{6} \, \mathbf{a}_{1}- y_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(x_{6} + y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \left(x_{6} - y_{6}\right) \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{53}}$ = $y_{6} \, \mathbf{a}_{1}- \left(x_{6} - y_{6}\right) \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(- x_{6} + 2 y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{6} \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{54}}$ = $\left(x_{6} - y_{6}\right) \, \mathbf{a}_{1}+x_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(2 x_{6} - y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a y_{6} \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{55}}$ = $y_{6} \, \mathbf{a}_{1}+x_{6} \, \mathbf{a}_{2}- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{6} + y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \left(x_{6} - y_{6}\right) \,\mathbf{\hat{y}}- c \left(z_{6} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{56}}$ = $\left(x_{6} - y_{6}\right) \, \mathbf{a}_{1}- y_{6} \, \mathbf{a}_{2}- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{6} - 2 y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{6} \,\mathbf{\hat{y}}- c \left(z_{6} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{57}}$ = $- x_{6} \, \mathbf{a}_{1}- \left(x_{6} - y_{6}\right) \, \mathbf{a}_{2}- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(2 x_{6} - y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a y_{6} \,\mathbf{\hat{y}}- c \left(z_{6} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{58}}$ = $- y_{6} \, \mathbf{a}_{1}- x_{6} \, \mathbf{a}_{2}- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(x_{6} + y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{6} - y_{6}\right) \,\mathbf{\hat{y}}- c \left(z_{6} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{59}}$ = $- \left(x_{6} - y_{6}\right) \, \mathbf{a}_{1}+y_{6} \, \mathbf{a}_{2}- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(- x_{6} + 2 y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{6} \,\mathbf{\hat{y}}- c \left(z_{6} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{60}}$ = $x_{6} \, \mathbf{a}_{1}+\left(x_{6} - y_{6}\right) \, \mathbf{a}_{2}- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(2 x_{6} - y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{6} \,\mathbf{\hat{y}}- c \left(z_{6} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{61}}$ = $- x_{6} \, \mathbf{a}_{1}- y_{6} \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(x_{6} + y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \left(x_{6} - y_{6}\right) \,\mathbf{\hat{y}}- c z_{6} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{62}}$ = $y_{6} \, \mathbf{a}_{1}- \left(x_{6} - y_{6}\right) \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(- x_{6} + 2 y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{6} \,\mathbf{\hat{y}}- c z_{6} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{63}}$ = $\left(x_{6} - y_{6}\right) \, \mathbf{a}_{1}+x_{6} \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(2 x_{6} - y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a y_{6} \,\mathbf{\hat{y}}- c z_{6} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{64}}$ = $x_{6} \, \mathbf{a}_{1}+y_{6} \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{6} + y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{6} - y_{6}\right) \,\mathbf{\hat{y}}- c z_{6} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{65}}$ = $- y_{6} \, \mathbf{a}_{1}+\left(x_{6} - y_{6}\right) \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{6} - 2 y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{6} \,\mathbf{\hat{y}}- c z_{6} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{66}}$ = $- \left(x_{6} - y_{6}\right) \, \mathbf{a}_{1}- x_{6} \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(2 x_{6} - y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{6} \,\mathbf{\hat{y}}- c z_{6} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{67}}$ = $- y_{6} \, \mathbf{a}_{1}- x_{6} \, \mathbf{a}_{2}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(x_{6} + y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{6} - y_{6}\right) \,\mathbf{\hat{y}}+c \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{68}}$ = $- \left(x_{6} - y_{6}\right) \, \mathbf{a}_{1}+y_{6} \, \mathbf{a}_{2}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(- x_{6} + 2 y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{6} \,\mathbf{\hat{y}}+c \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{69}}$ = $x_{6} \, \mathbf{a}_{1}+\left(x_{6} - y_{6}\right) \, \mathbf{a}_{2}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(2 x_{6} - y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{6} \,\mathbf{\hat{y}}+c \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{70}}$ = $y_{6} \, \mathbf{a}_{1}+x_{6} \, \mathbf{a}_{2}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{6} + y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \left(x_{6} - y_{6}\right) \,\mathbf{\hat{y}}+c \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{71}}$ = $\left(x_{6} - y_{6}\right) \, \mathbf{a}_{1}- y_{6} \, \mathbf{a}_{2}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{6} - 2 y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{6} \,\mathbf{\hat{y}}+c \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{72}}$ = $- x_{6} \, \mathbf{a}_{1}- \left(x_{6} - y_{6}\right) \, \mathbf{a}_{2}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(2 x_{6} - y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a y_{6} \,\mathbf{\hat{y}}+c \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{73}}$ = $x_{7} \, \mathbf{a}_{1}+y_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{7} + y_{7}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{7} - y_{7}\right) \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{74}}$ = $- y_{7} \, \mathbf{a}_{1}+\left(x_{7} - y_{7}\right) \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{7} - 2 y_{7}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{7} \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{75}}$ = $- \left(x_{7} - y_{7}\right) \, \mathbf{a}_{1}- x_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(2 x_{7} - y_{7}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{7} \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{76}}$ = $- x_{7} \, \mathbf{a}_{1}- y_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(x_{7} + y_{7}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \left(x_{7} - y_{7}\right) \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{77}}$ = $y_{7} \, \mathbf{a}_{1}- \left(x_{7} - y_{7}\right) \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(- x_{7} + 2 y_{7}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{7} \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{78}}$ = $\left(x_{7} - y_{7}\right) \, \mathbf{a}_{1}+x_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(2 x_{7} - y_{7}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a y_{7} \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{79}}$ = $y_{7} \, \mathbf{a}_{1}+x_{7} \, \mathbf{a}_{2}- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{7} + y_{7}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \left(x_{7} - y_{7}\right) \,\mathbf{\hat{y}}- c \left(z_{7} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{80}}$ = $\left(x_{7} - y_{7}\right) \, \mathbf{a}_{1}- y_{7} \, \mathbf{a}_{2}- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{7} - 2 y_{7}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{7} \,\mathbf{\hat{y}}- c \left(z_{7} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{81}}$ = $- x_{7} \, \mathbf{a}_{1}- \left(x_{7} - y_{7}\right) \, \mathbf{a}_{2}- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(2 x_{7} - y_{7}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a y_{7} \,\mathbf{\hat{y}}- c \left(z_{7} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{82}}$ = $- y_{7} \, \mathbf{a}_{1}- x_{7} \, \mathbf{a}_{2}- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(x_{7} + y_{7}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{7} - y_{7}\right) \,\mathbf{\hat{y}}- c \left(z_{7} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{83}}$ = $- \left(x_{7} - y_{7}\right) \, \mathbf{a}_{1}+y_{7} \, \mathbf{a}_{2}- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(- x_{7} + 2 y_{7}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{7} \,\mathbf{\hat{y}}- c \left(z_{7} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{84}}$ = $x_{7} \, \mathbf{a}_{1}+\left(x_{7} - y_{7}\right) \, \mathbf{a}_{2}- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(2 x_{7} - y_{7}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{7} \,\mathbf{\hat{y}}- c \left(z_{7} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{85}}$ = $- x_{7} \, \mathbf{a}_{1}- y_{7} \, \mathbf{a}_{2}- z_{7} \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(x_{7} + y_{7}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \left(x_{7} - y_{7}\right) \,\mathbf{\hat{y}}- c z_{7} \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{86}}$ = $y_{7} \, \mathbf{a}_{1}- \left(x_{7} - y_{7}\right) \, \mathbf{a}_{2}- z_{7} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(- x_{7} + 2 y_{7}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{7} \,\mathbf{\hat{y}}- c z_{7} \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{87}}$ = $\left(x_{7} - y_{7}\right) \, \mathbf{a}_{1}+x_{7} \, \mathbf{a}_{2}- z_{7} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(2 x_{7} - y_{7}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a y_{7} \,\mathbf{\hat{y}}- c z_{7} \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{88}}$ = $x_{7} \, \mathbf{a}_{1}+y_{7} \, \mathbf{a}_{2}- z_{7} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{7} + y_{7}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{7} - y_{7}\right) \,\mathbf{\hat{y}}- c z_{7} \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{89}}$ = $- y_{7} \, \mathbf{a}_{1}+\left(x_{7} - y_{7}\right) \, \mathbf{a}_{2}- z_{7} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{7} - 2 y_{7}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{7} \,\mathbf{\hat{y}}- c z_{7} \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{90}}$ = $- \left(x_{7} - y_{7}\right) \, \mathbf{a}_{1}- x_{7} \, \mathbf{a}_{2}- z_{7} \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(2 x_{7} - y_{7}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{7} \,\mathbf{\hat{y}}- c z_{7} \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{91}}$ = $- y_{7} \, \mathbf{a}_{1}- x_{7} \, \mathbf{a}_{2}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(x_{7} + y_{7}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{7} - y_{7}\right) \,\mathbf{\hat{y}}+c \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{92}}$ = $- \left(x_{7} - y_{7}\right) \, \mathbf{a}_{1}+y_{7} \, \mathbf{a}_{2}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(- x_{7} + 2 y_{7}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{7} \,\mathbf{\hat{y}}+c \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{93}}$ = $x_{7} \, \mathbf{a}_{1}+\left(x_{7} - y_{7}\right) \, \mathbf{a}_{2}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(2 x_{7} - y_{7}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{7} \,\mathbf{\hat{y}}+c \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{94}}$ = $y_{7} \, \mathbf{a}_{1}+x_{7} \, \mathbf{a}_{2}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{7} + y_{7}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \left(x_{7} - y_{7}\right) \,\mathbf{\hat{y}}+c \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{95}}$ = $\left(x_{7} - y_{7}\right) \, \mathbf{a}_{1}- y_{7} \, \mathbf{a}_{2}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \left(x_{7} - 2 y_{7}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{7} \,\mathbf{\hat{y}}+c \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) Si I
$\mathbf{B_{96}}$ = $- x_{7} \, \mathbf{a}_{1}- \left(x_{7} - y_{7}\right) \, \mathbf{a}_{2}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- \frac{1}{2}a \left(2 x_{7} - y_{7}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a y_{7} \,\mathbf{\hat{y}}+c \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) Si I

References

  • T. Armbruster and R. Oberhänsli, Crystal chemistry of double-ring silicates: Structural, chemical, and optical variation in osumilites, Am. Mineral. 73, 585–594 (1988).

Found in

  • R. T. Downs and M. Hall-Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).

Prototype Generator

aflow --proto=A3BC2D30E12_hP96_192_f_a_c_l2m_m --params=$a,c/a,x_{4},y_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6},x_{7},y_{7},z_{7}$

Species:

Running:

Output: