Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: A11B16C5_cP64_208_bfh_adm_ce-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/NFNJ
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Na$_{11}$U$_{5}$O$_{16}$ Structure: A11B16C5_cP64_208_bfh_adm_ce-001

Picture of Structure; Click for Big Picture
Prototype Na$_{11}$O$_{16}$U$_{5}$
AFLOW prototype label A11B16C5_cP64_208_bfh_adm_ce-001
ICSD 15137
Pearson symbol cP64
Space group number 208
Space group symbol $P4_232$
AFLOW prototype command aflow --proto=A11B16C5_cP64_208_bfh_adm_ce-001
--params=$a, \allowbreak x_{7}, \allowbreak x_{8}, \allowbreak y_{8}, \allowbreak z_{8}$

  • (Bartram, 1970) say the atoms were arbitrarily placed at the Wyckoff positions listed, with $z_{8} = 0$. This gives a U$_{1}$-O$_{3}$ distance of 2.38Å. They then set $z_{8} = -0.02$ ($0.52$ using our origin), giving a distance of 2.19Å, which they consider more reasonable, but the other U-O distances remain at 2.39Å. If we find a refinement of this structure we will update this page.

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

Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
$\mathbf{B_{1}}$ = $0$ = $0$ (2a) O I
$\mathbf{B_{2}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ (2a) O I
$\mathbf{B_{3}}$ = $\frac{1}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ = $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ (4b) Na I
$\mathbf{B_{4}}$ = $\frac{3}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ = $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ (4b) Na I
$\mathbf{B_{5}}$ = $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ = $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{3}{4}a \,\mathbf{\hat{z}}$ (4b) Na I
$\mathbf{B_{6}}$ = $\frac{1}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ = $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}+\frac{3}{4}a \,\mathbf{\hat{z}}$ (4b) Na I
$\mathbf{B_{7}}$ = $\frac{3}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ = $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}+\frac{3}{4}a \,\mathbf{\hat{z}}$ (4c) U I
$\mathbf{B_{8}}$ = $\frac{1}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ = $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{3}{4}a \,\mathbf{\hat{z}}$ (4c) U I
$\mathbf{B_{9}}$ = $\frac{1}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ = $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ (4c) U I
$\mathbf{B_{10}}$ = $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ = $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ (4c) U I
$\mathbf{B_{11}}$ = $\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ (6d) O II
$\mathbf{B_{12}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ (6d) O II
$\mathbf{B_{13}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}$ (6d) O II
$\mathbf{B_{14}}$ = $\frac{1}{2} \, \mathbf{a}_{2}$ = $\frac{1}{2}a \,\mathbf{\hat{y}}$ (6d) O II
$\mathbf{B_{15}}$ = $\frac{1}{2} \, \mathbf{a}_{1}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}$ (6d) O II
$\mathbf{B_{16}}$ = $\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{z}}$ (6d) O II
$\mathbf{B_{17}}$ = $\frac{1}{4} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ (6e) U II
$\mathbf{B_{18}}$ = $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ (6e) U II
$\mathbf{B_{19}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}$ (6e) U II
$\mathbf{B_{20}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}$ (6e) U II
$\mathbf{B_{21}}$ = $\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ (6e) U II
$\mathbf{B_{22}}$ = $\frac{1}{2} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{3}{4}a \,\mathbf{\hat{z}}$ (6e) U II
$\mathbf{B_{23}}$ = $\frac{1}{4} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ = $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}$ (6f) Na II
$\mathbf{B_{24}}$ = $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ = $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}$ (6f) Na II
$\mathbf{B_{25}}$ = $\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ (6f) Na II
$\mathbf{B_{26}}$ = $\frac{3}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{3}{4}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ (6f) Na II
$\mathbf{B_{27}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ (6f) Na II
$\mathbf{B_{28}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{z}}$ (6f) Na II
$\mathbf{B_{29}}$ = $x_{7} \, \mathbf{a}_{1}$ = $a x_{7} \,\mathbf{\hat{x}}$ (12h) Na III
$\mathbf{B_{30}}$ = $- x_{7} \, \mathbf{a}_{1}$ = $- a x_{7} \,\mathbf{\hat{x}}$ (12h) Na III
$\mathbf{B_{31}}$ = $x_{7} \, \mathbf{a}_{2}$ = $a x_{7} \,\mathbf{\hat{y}}$ (12h) Na III
$\mathbf{B_{32}}$ = $- x_{7} \, \mathbf{a}_{2}$ = $- a x_{7} \,\mathbf{\hat{y}}$ (12h) Na III
$\mathbf{B_{33}}$ = $x_{7} \, \mathbf{a}_{3}$ = $a x_{7} \,\mathbf{\hat{z}}$ (12h) Na III
$\mathbf{B_{34}}$ = $- x_{7} \, \mathbf{a}_{3}$ = $- a x_{7} \,\mathbf{\hat{z}}$ (12h) Na III
$\mathbf{B_{35}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\left(x_{7} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+a \left(x_{7} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ (12h) Na III
$\mathbf{B_{36}}$ = $\frac{1}{2} \, \mathbf{a}_{1}- \left(x_{7} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}- a \left(x_{7} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ (12h) Na III
$\mathbf{B_{37}}$ = $\left(x_{7} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $a \left(x_{7} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ (12h) Na III
$\mathbf{B_{38}}$ = $- \left(x_{7} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ = $- a \left(x_{7} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ (12h) Na III
$\mathbf{B_{39}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}- \left(x_{7} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- a \left(x_{7} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (12h) Na III
$\mathbf{B_{40}}$ = $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\left(x_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+a \left(x_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (12h) Na III
$\mathbf{B_{41}}$ = $x_{8} \, \mathbf{a}_{1}+y_{8} \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ = $a x_{8} \,\mathbf{\hat{x}}+a y_{8} \,\mathbf{\hat{y}}+a z_{8} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{42}}$ = $- x_{8} \, \mathbf{a}_{1}- y_{8} \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ = $- a x_{8} \,\mathbf{\hat{x}}- a y_{8} \,\mathbf{\hat{y}}+a z_{8} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{43}}$ = $- x_{8} \, \mathbf{a}_{1}+y_{8} \, \mathbf{a}_{2}- z_{8} \, \mathbf{a}_{3}$ = $- a x_{8} \,\mathbf{\hat{x}}+a y_{8} \,\mathbf{\hat{y}}- a z_{8} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{44}}$ = $x_{8} \, \mathbf{a}_{1}- y_{8} \, \mathbf{a}_{2}- z_{8} \, \mathbf{a}_{3}$ = $a x_{8} \,\mathbf{\hat{x}}- a y_{8} \,\mathbf{\hat{y}}- a z_{8} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{45}}$ = $z_{8} \, \mathbf{a}_{1}+x_{8} \, \mathbf{a}_{2}+y_{8} \, \mathbf{a}_{3}$ = $a z_{8} \,\mathbf{\hat{x}}+a x_{8} \,\mathbf{\hat{y}}+a y_{8} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{46}}$ = $z_{8} \, \mathbf{a}_{1}- x_{8} \, \mathbf{a}_{2}- y_{8} \, \mathbf{a}_{3}$ = $a z_{8} \,\mathbf{\hat{x}}- a x_{8} \,\mathbf{\hat{y}}- a y_{8} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{47}}$ = $- z_{8} \, \mathbf{a}_{1}- x_{8} \, \mathbf{a}_{2}+y_{8} \, \mathbf{a}_{3}$ = $- a z_{8} \,\mathbf{\hat{x}}- a x_{8} \,\mathbf{\hat{y}}+a y_{8} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{48}}$ = $- z_{8} \, \mathbf{a}_{1}+x_{8} \, \mathbf{a}_{2}- y_{8} \, \mathbf{a}_{3}$ = $- a z_{8} \,\mathbf{\hat{x}}+a x_{8} \,\mathbf{\hat{y}}- a y_{8} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{49}}$ = $y_{8} \, \mathbf{a}_{1}+z_{8} \, \mathbf{a}_{2}+x_{8} \, \mathbf{a}_{3}$ = $a y_{8} \,\mathbf{\hat{x}}+a z_{8} \,\mathbf{\hat{y}}+a x_{8} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{50}}$ = $- y_{8} \, \mathbf{a}_{1}+z_{8} \, \mathbf{a}_{2}- x_{8} \, \mathbf{a}_{3}$ = $- a y_{8} \,\mathbf{\hat{x}}+a z_{8} \,\mathbf{\hat{y}}- a x_{8} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{51}}$ = $y_{8} \, \mathbf{a}_{1}- z_{8} \, \mathbf{a}_{2}- x_{8} \, \mathbf{a}_{3}$ = $a y_{8} \,\mathbf{\hat{x}}- a z_{8} \,\mathbf{\hat{y}}- a x_{8} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{52}}$ = $- y_{8} \, \mathbf{a}_{1}- z_{8} \, \mathbf{a}_{2}+x_{8} \, \mathbf{a}_{3}$ = $- a y_{8} \,\mathbf{\hat{x}}- a z_{8} \,\mathbf{\hat{y}}+a x_{8} \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{53}}$ = $\left(y_{8} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{8} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(z_{8} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(y_{8} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(x_{8} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(z_{8} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{54}}$ = $- \left(y_{8} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{8} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(z_{8} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{8} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{8} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(z_{8} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{55}}$ = $\left(y_{8} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{8} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(z_{8} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(y_{8} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{8} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(z_{8} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{56}}$ = $- \left(y_{8} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{8} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(z_{8} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{8} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(x_{8} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(z_{8} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{57}}$ = $\left(x_{8} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(z_{8} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{8} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(x_{8} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(z_{8} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(y_{8} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{58}}$ = $- \left(x_{8} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(z_{8} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{8} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{8} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(z_{8} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(y_{8} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{59}}$ = $- \left(x_{8} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(z_{8} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{8} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{8} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(z_{8} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(y_{8} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{60}}$ = $\left(x_{8} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(z_{8} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{8} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(x_{8} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(z_{8} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(y_{8} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{61}}$ = $\left(z_{8} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{8} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{8} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(z_{8} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(y_{8} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{8} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{62}}$ = $\left(z_{8} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{8} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{8} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(z_{8} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(y_{8} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(x_{8} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{63}}$ = $- \left(z_{8} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{8} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{8} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{8} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(y_{8} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(x_{8} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III
$\mathbf{B_{64}}$ = $- \left(z_{8} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{8} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{8} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{8} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(y_{8} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{8} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (24m) O III

References

  • S. F. Bartram and R. E. Fryxell, Preparation and crystal structure of NaUO$_{3}$ and Na$_{11}$U$_{5}$O$_{16}$, J. Inorg. Nucl. Chem. 32, 3701–3706 (1970), doi:10.1016/0022-1902(70)80187-7.

Prototype Generator

aflow --proto=A11B16C5_cP64_208_bfh_adm_ce --params=$a,x_{7},x_{8},y_{8},z_{8}$

Species:

Running:

Output: