Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: AB12CD8E2_cP96_205_a_2d_b_cd_c-001

This structure originally had the label AB12CD8E2_cP96_205_a_2d_b_cd_c. Calls to that address will be redirected here.

If you are using this page, please cite:
D. Hicks, M.J. Mehl, M. Esters, C. Oses, O. Levy, G.L.W. Hart, C. Toher, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 3, Comp. Mat. Sci. 199, 110450 (2021). (doi=10.1016/j.commatsci.2021.110450)

Links to this page

https://aflow.org/p/AUGT
or https://aflow.org/p/AB12CD8E2_cP96_205_a_2d_b_cd_c-001
or PDF Version

NaCr(SO$_{4}$)$_{2}$ $\cdot$ 12H$_{2}$O Alum Structure: AB12CD8E2_cP96_205_a_2d_b_cd_c-001

Picture of Structure; Click for Big Picture
Prototype Cr(H$_{2}$O)$_{12}$NaO$_{8}$S$_{2}$
AFLOW prototype label AB12CD8E2_cP96_205_a_2d_b_cd_c-001
Mineral name alum
ICSD 36082
Pearson symbol cP96
Space group number 205
Space group symbol $Pa\overline{3}$
AFLOW prototype command aflow --proto=AB12CD8E2_cP96_205_a_2d_b_cd_c-001
--params=$a, \allowbreak x_{3}, \allowbreak x_{4}, \allowbreak x_{5}, \allowbreak y_{5}, \allowbreak z_{5}, \allowbreak x_{6}, \allowbreak y_{6}, \allowbreak z_{6}, \allowbreak x_{7}, \allowbreak y_{7}, \allowbreak z_{7}$

Other compounds with this structure

CsCr(SO$_{4}$)$_{2}$ $\cdot$ 12H$_{2}$O



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

Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
$\mathbf{B_{1}}$ = $0$ = $0$ (4a) Cr I
$\mathbf{B_{2}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ (4a) Cr I
$\mathbf{B_{3}}$ = $\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ (4a) Cr I
$\mathbf{B_{4}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}$ (4a) Cr I
$\mathbf{B_{5}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ (4b) Na I
$\mathbf{B_{6}}$ = $\frac{1}{2} \, \mathbf{a}_{2}$ = $\frac{1}{2}a \,\mathbf{\hat{y}}$ (4b) Na I
$\mathbf{B_{7}}$ = $\frac{1}{2} \, \mathbf{a}_{1}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}$ (4b) Na I
$\mathbf{B_{8}}$ = $\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{z}}$ (4b) Na I
$\mathbf{B_{9}}$ = $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ = $a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ (8c) O I
$\mathbf{B_{10}}$ = $- \left(x_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+\left(x_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}+a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (8c) O I
$\mathbf{B_{11}}$ = $- x_{3} \, \mathbf{a}_{1}+\left(x_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a x_{3} \,\mathbf{\hat{x}}+a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (8c) O I
$\mathbf{B_{12}}$ = $\left(x_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}$ = $a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ (8c) O I
$\mathbf{B_{13}}$ = $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}$ = $- a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ (8c) O I
$\mathbf{B_{14}}$ = $\left(x_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}- \left(x_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (8c) O I
$\mathbf{B_{15}}$ = $x_{3} \, \mathbf{a}_{1}- \left(x_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a x_{3} \,\mathbf{\hat{x}}- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (8c) O I
$\mathbf{B_{16}}$ = $- \left(x_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ = $- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ (8c) O I
$\mathbf{B_{17}}$ = $x_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ = $a x_{4} \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}+a x_{4} \,\mathbf{\hat{z}}$ (8c) S I
$\mathbf{B_{18}}$ = $- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}+a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (8c) S I
$\mathbf{B_{19}}$ = $- x_{4} \, \mathbf{a}_{1}+\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a x_{4} \,\mathbf{\hat{x}}+a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (8c) S I
$\mathbf{B_{20}}$ = $\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ = $a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{4} \,\mathbf{\hat{z}}$ (8c) S I
$\mathbf{B_{21}}$ = $- x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ = $- a x_{4} \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}- a x_{4} \,\mathbf{\hat{z}}$ (8c) S I
$\mathbf{B_{22}}$ = $\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (8c) S I
$\mathbf{B_{23}}$ = $x_{4} \, \mathbf{a}_{1}- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a x_{4} \,\mathbf{\hat{x}}- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (8c) S I
$\mathbf{B_{24}}$ = $- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ = $- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a x_{4} \,\mathbf{\hat{z}}$ (8c) S I
$\mathbf{B_{25}}$ = $x_{5} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ = $a x_{5} \,\mathbf{\hat{x}}+a y_{5} \,\mathbf{\hat{y}}+a z_{5} \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{26}}$ = $- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a y_{5} \,\mathbf{\hat{y}}+a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{27}}$ = $- x_{5} \, \mathbf{a}_{1}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a x_{5} \,\mathbf{\hat{x}}+a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{28}}$ = $\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ = $a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a z_{5} \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{29}}$ = $z_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+y_{5} \, \mathbf{a}_{3}$ = $a z_{5} \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}+a y_{5} \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{30}}$ = $\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}- y_{5} \, \mathbf{a}_{3}$ = $a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a y_{5} \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{31}}$ = $- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}+a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{32}}$ = $- z_{5} \, \mathbf{a}_{1}+\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a z_{5} \,\mathbf{\hat{x}}+a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{33}}$ = $y_{5} \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}+x_{5} \, \mathbf{a}_{3}$ = $a y_{5} \,\mathbf{\hat{x}}+a z_{5} \,\mathbf{\hat{y}}+a x_{5} \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{34}}$ = $- y_{5} \, \mathbf{a}_{1}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a y_{5} \,\mathbf{\hat{x}}+a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{35}}$ = $\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{5} \, \mathbf{a}_{3}$ = $a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{5} \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{36}}$ = $- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}+\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a z_{5} \,\mathbf{\hat{y}}+a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{37}}$ = $- x_{5} \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ = $- a x_{5} \,\mathbf{\hat{x}}- a y_{5} \,\mathbf{\hat{y}}- a z_{5} \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{38}}$ = $\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a y_{5} \,\mathbf{\hat{y}}- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{39}}$ = $x_{5} \, \mathbf{a}_{1}- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a x_{5} \,\mathbf{\hat{x}}- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{40}}$ = $- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ = $- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a z_{5} \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{41}}$ = $- z_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}- y_{5} \, \mathbf{a}_{3}$ = $- a z_{5} \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}- a y_{5} \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{42}}$ = $- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}+y_{5} \, \mathbf{a}_{3}$ = $- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a y_{5} \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{43}}$ = $\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{44}}$ = $z_{5} \, \mathbf{a}_{1}- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a z_{5} \,\mathbf{\hat{x}}- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{45}}$ = $- y_{5} \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}- x_{5} \, \mathbf{a}_{3}$ = $- a y_{5} \,\mathbf{\hat{x}}- a z_{5} \,\mathbf{\hat{y}}- a x_{5} \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{46}}$ = $y_{5} \, \mathbf{a}_{1}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a y_{5} \,\mathbf{\hat{x}}- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{47}}$ = $- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}+x_{5} \, \mathbf{a}_{3}$ = $- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a x_{5} \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{48}}$ = $\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a z_{5} \,\mathbf{\hat{y}}- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H I
$\mathbf{B_{49}}$ = $x_{6} \, \mathbf{a}_{1}+y_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ = $a x_{6} \,\mathbf{\hat{x}}+a y_{6} \,\mathbf{\hat{y}}+a z_{6} \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{50}}$ = $- \left(x_{6} - \frac{1}{2}\right) \, \mathbf{a}_{1}- y_{6} \, \mathbf{a}_{2}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{6} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a y_{6} \,\mathbf{\hat{y}}+a \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{51}}$ = $- x_{6} \, \mathbf{a}_{1}+\left(y_{6} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a x_{6} \,\mathbf{\hat{x}}+a \left(y_{6} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(z_{6} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{52}}$ = $\left(x_{6} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{6} - \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ = $a \left(x_{6} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(y_{6} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a z_{6} \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{53}}$ = $z_{6} \, \mathbf{a}_{1}+x_{6} \, \mathbf{a}_{2}+y_{6} \, \mathbf{a}_{3}$ = $a z_{6} \,\mathbf{\hat{x}}+a x_{6} \,\mathbf{\hat{y}}+a y_{6} \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{54}}$ = $\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{6} - \frac{1}{2}\right) \, \mathbf{a}_{2}- y_{6} \, \mathbf{a}_{3}$ = $a \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{6} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a y_{6} \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{55}}$ = $- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{6} \, \mathbf{a}_{2}+\left(y_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{6} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{6} \,\mathbf{\hat{y}}+a \left(y_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{56}}$ = $- z_{6} \, \mathbf{a}_{1}+\left(x_{6} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a z_{6} \,\mathbf{\hat{x}}+a \left(x_{6} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(y_{6} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{57}}$ = $y_{6} \, \mathbf{a}_{1}+z_{6} \, \mathbf{a}_{2}+x_{6} \, \mathbf{a}_{3}$ = $a y_{6} \,\mathbf{\hat{x}}+a z_{6} \,\mathbf{\hat{y}}+a x_{6} \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{58}}$ = $- y_{6} \, \mathbf{a}_{1}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a y_{6} \,\mathbf{\hat{x}}+a \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{6} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{59}}$ = $\left(y_{6} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{6} \, \mathbf{a}_{3}$ = $a \left(y_{6} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(z_{6} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{6} \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{60}}$ = $- \left(y_{6} - \frac{1}{2}\right) \, \mathbf{a}_{1}- z_{6} \, \mathbf{a}_{2}+\left(x_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{6} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a z_{6} \,\mathbf{\hat{y}}+a \left(x_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{61}}$ = $- x_{6} \, \mathbf{a}_{1}- y_{6} \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ = $- a x_{6} \,\mathbf{\hat{x}}- a y_{6} \,\mathbf{\hat{y}}- a z_{6} \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{62}}$ = $\left(x_{6} + \frac{1}{2}\right) \, \mathbf{a}_{1}+y_{6} \, \mathbf{a}_{2}- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(x_{6} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a y_{6} \,\mathbf{\hat{y}}- a \left(z_{6} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{63}}$ = $x_{6} \, \mathbf{a}_{1}- \left(y_{6} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a x_{6} \,\mathbf{\hat{x}}- a \left(y_{6} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{64}}$ = $- \left(x_{6} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{6} + \frac{1}{2}\right) \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ = $- a \left(x_{6} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(y_{6} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a z_{6} \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{65}}$ = $- z_{6} \, \mathbf{a}_{1}- x_{6} \, \mathbf{a}_{2}- y_{6} \, \mathbf{a}_{3}$ = $- a z_{6} \,\mathbf{\hat{x}}- a x_{6} \,\mathbf{\hat{y}}- a y_{6} \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{66}}$ = $- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{6} + \frac{1}{2}\right) \, \mathbf{a}_{2}+y_{6} \, \mathbf{a}_{3}$ = $- a \left(z_{6} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(x_{6} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a y_{6} \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{67}}$ = $\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{1}+x_{6} \, \mathbf{a}_{2}- \left(y_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a x_{6} \,\mathbf{\hat{y}}- a \left(y_{6} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{68}}$ = $z_{6} \, \mathbf{a}_{1}- \left(x_{6} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a z_{6} \,\mathbf{\hat{x}}- a \left(x_{6} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(y_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{69}}$ = $- y_{6} \, \mathbf{a}_{1}- z_{6} \, \mathbf{a}_{2}- x_{6} \, \mathbf{a}_{3}$ = $- a y_{6} \,\mathbf{\hat{x}}- a z_{6} \,\mathbf{\hat{y}}- a x_{6} \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{70}}$ = $y_{6} \, \mathbf{a}_{1}- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a y_{6} \,\mathbf{\hat{x}}- a \left(z_{6} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(x_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{71}}$ = $- \left(y_{6} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{2}+x_{6} \, \mathbf{a}_{3}$ = $- a \left(y_{6} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a x_{6} \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{72}}$ = $\left(y_{6} + \frac{1}{2}\right) \, \mathbf{a}_{1}+z_{6} \, \mathbf{a}_{2}- \left(x_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(y_{6} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a z_{6} \,\mathbf{\hat{y}}- a \left(x_{6} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) H II
$\mathbf{B_{73}}$ = $x_{7} \, \mathbf{a}_{1}+y_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ = $a x_{7} \,\mathbf{\hat{x}}+a y_{7} \,\mathbf{\hat{y}}+a z_{7} \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{74}}$ = $- \left(x_{7} - \frac{1}{2}\right) \, \mathbf{a}_{1}- y_{7} \, \mathbf{a}_{2}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{7} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a y_{7} \,\mathbf{\hat{y}}+a \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{75}}$ = $- x_{7} \, \mathbf{a}_{1}+\left(y_{7} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a x_{7} \,\mathbf{\hat{x}}+a \left(y_{7} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(z_{7} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{76}}$ = $\left(x_{7} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{7} - \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{7} \, \mathbf{a}_{3}$ = $a \left(x_{7} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(y_{7} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a z_{7} \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{77}}$ = $z_{7} \, \mathbf{a}_{1}+x_{7} \, \mathbf{a}_{2}+y_{7} \, \mathbf{a}_{3}$ = $a z_{7} \,\mathbf{\hat{x}}+a x_{7} \,\mathbf{\hat{y}}+a y_{7} \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{78}}$ = $\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{7} - \frac{1}{2}\right) \, \mathbf{a}_{2}- y_{7} \, \mathbf{a}_{3}$ = $a \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{7} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a y_{7} \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{79}}$ = $- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{7} \, \mathbf{a}_{2}+\left(y_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{7} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{7} \,\mathbf{\hat{y}}+a \left(y_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{80}}$ = $- z_{7} \, \mathbf{a}_{1}+\left(x_{7} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{7} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a z_{7} \,\mathbf{\hat{x}}+a \left(x_{7} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(y_{7} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{81}}$ = $y_{7} \, \mathbf{a}_{1}+z_{7} \, \mathbf{a}_{2}+x_{7} \, \mathbf{a}_{3}$ = $a y_{7} \,\mathbf{\hat{x}}+a z_{7} \,\mathbf{\hat{y}}+a x_{7} \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{82}}$ = $- y_{7} \, \mathbf{a}_{1}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{7} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a y_{7} \,\mathbf{\hat{x}}+a \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{7} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{83}}$ = $\left(y_{7} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{7} \, \mathbf{a}_{3}$ = $a \left(y_{7} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(z_{7} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{7} \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{84}}$ = $- \left(y_{7} - \frac{1}{2}\right) \, \mathbf{a}_{1}- z_{7} \, \mathbf{a}_{2}+\left(x_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{7} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a z_{7} \,\mathbf{\hat{y}}+a \left(x_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{85}}$ = $- x_{7} \, \mathbf{a}_{1}- y_{7} \, \mathbf{a}_{2}- z_{7} \, \mathbf{a}_{3}$ = $- a x_{7} \,\mathbf{\hat{x}}- a y_{7} \,\mathbf{\hat{y}}- a z_{7} \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{86}}$ = $\left(x_{7} + \frac{1}{2}\right) \, \mathbf{a}_{1}+y_{7} \, \mathbf{a}_{2}- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(x_{7} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a y_{7} \,\mathbf{\hat{y}}- a \left(z_{7} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{87}}$ = $x_{7} \, \mathbf{a}_{1}- \left(y_{7} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a x_{7} \,\mathbf{\hat{x}}- a \left(y_{7} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{88}}$ = $- \left(x_{7} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{7} + \frac{1}{2}\right) \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ = $- a \left(x_{7} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(y_{7} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a z_{7} \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{89}}$ = $- z_{7} \, \mathbf{a}_{1}- x_{7} \, \mathbf{a}_{2}- y_{7} \, \mathbf{a}_{3}$ = $- a z_{7} \,\mathbf{\hat{x}}- a x_{7} \,\mathbf{\hat{y}}- a y_{7} \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{90}}$ = $- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{7} + \frac{1}{2}\right) \, \mathbf{a}_{2}+y_{7} \, \mathbf{a}_{3}$ = $- a \left(z_{7} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(x_{7} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a y_{7} \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{91}}$ = $\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{1}+x_{7} \, \mathbf{a}_{2}- \left(y_{7} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a x_{7} \,\mathbf{\hat{y}}- a \left(y_{7} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{92}}$ = $z_{7} \, \mathbf{a}_{1}- \left(x_{7} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a z_{7} \,\mathbf{\hat{x}}- a \left(x_{7} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(y_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{93}}$ = $- y_{7} \, \mathbf{a}_{1}- z_{7} \, \mathbf{a}_{2}- x_{7} \, \mathbf{a}_{3}$ = $- a y_{7} \,\mathbf{\hat{x}}- a z_{7} \,\mathbf{\hat{y}}- a x_{7} \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{94}}$ = $y_{7} \, \mathbf{a}_{1}- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a y_{7} \,\mathbf{\hat{x}}- a \left(z_{7} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(x_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{95}}$ = $- \left(y_{7} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{2}+x_{7} \, \mathbf{a}_{3}$ = $- a \left(y_{7} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a x_{7} \,\mathbf{\hat{z}}$ (24d) O II
$\mathbf{B_{96}}$ = $\left(y_{7} + \frac{1}{2}\right) \, \mathbf{a}_{1}+z_{7} \, \mathbf{a}_{2}- \left(x_{7} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(y_{7} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a z_{7} \,\mathbf{\hat{y}}- a \left(x_{7} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24d) O II

References

  • H. Lipson, Existence of Three Alum Structures, Nature 135, 912 (1935), doi:10.1038/135912b0.
  • H. Lipson, The Relation between the Alum Structures, Proc. Roy. Soc. London 151, 347–356 (1935), doi:10.1098/rspa.1935.0154.
  • C. Gottfried and F. Schossberger, eds., Strukturbericht Band III 1933-1935 (Akademische Verlagsgesellschaft M. B. H., Leipzig, 1937).
  • A. H. C. Ledsham and H. Steeple, The crystal structure of sodium chromium alum and caesium chromium alum, Acta Crystallogr. Sect. B 24, 1287–1289 (1968), doi:10.1107/S0567740868004188.

Prototype Generator

aflow --proto=AB12CD8E2_cP96_205_a_2d_b_cd_c --params=$a,x_{3},x_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6},x_{7},y_{7},z_{7}$

Species:

Running:

Output: