Hexagonal Hollandite (BaRu$_{4}$Cr$_{2}$O$_{12}$) Structure: AB2C12D4_tP76_75_2a2b_2d_12d_4d-001
| Prototype | BaCr$_{2}$O$_{12}$Ru$_{4}$ |
| AFLOW prototype label | AB2C12D4_tP76_75_2a2b_2d_12d_4d-001 |
| Mineral name | hollandite |
| ICSD | 100578 |
| Pearson symbol | tP76 |
| Space group number | 75 |
| Space group symbol | $P4$ |
| AFLOW prototype command |
aflow --proto=AB2C12D4_tP76_75_2a2b_2d_12d_4d-001
--params=$a, \allowbreak c/a, \allowbreak z_{1}, \allowbreak z_{2}, \allowbreak z_{3}, \allowbreak z_{4}, \allowbreak x_{5}, \allowbreak y_{5}, \allowbreak z_{5}, \allowbreak x_{6}, \allowbreak y_{6}, \allowbreak z_{6}, \allowbreak x_{7}, \allowbreak y_{7}, \allowbreak z_{7}, \allowbreak x_{8}, \allowbreak y_{8}, \allowbreak z_{8}, \allowbreak x_{9}, \allowbreak y_{9}, \allowbreak z_{9}, \allowbreak x_{10}, \allowbreak y_{10}, \allowbreak z_{10}, \allowbreak x_{11}, \allowbreak y_{11}, \allowbreak z_{11}, \allowbreak x_{12}, \allowbreak y_{12}, \allowbreak z_{12}, \allowbreak x_{13}, \allowbreak y_{13}, \allowbreak z_{13}, \allowbreak x_{14}, \allowbreak y_{14}, \allowbreak z_{14}, \allowbreak x_{15}, \allowbreak y_{15}, \allowbreak z_{15}, \allowbreak x_{16}, \allowbreak y_{16}, \allowbreak z_{16}, \allowbreak x_{17}, \allowbreak y_{17}, \allowbreak z_{17}, \allowbreak x_{18}, \allowbreak y_{18}, \allowbreak z_{18}, \allowbreak x_{19}, \allowbreak y_{19}, \allowbreak z_{19}, \allowbreak x_{20}, \allowbreak y_{20}, \allowbreak z_{20}, \allowbreak x_{21}, \allowbreak y_{21}, \allowbreak z_{21}, \allowbreak x_{22}, \allowbreak y_{22}, \allowbreak z_{22}$ |
- This is a superstructure of conventional hollandite.
- (Cadé, 1979) and the ICSD entry omit the coordinates for the O-VI atom. We have used the values provided by (Villars, 2016).
- Space group $P4$ #74 allows for an arbitrary origin of the $z$-axis. We follow (Villars, 2016) and set $z_{1} = 0$ for the Ba-I atom. This is a shift of $c/2$ from the origin used by (Cadé, 1979).
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $z_{1} \, \mathbf{a}_{3}$ | = | $c z_{1} \,\mathbf{\hat{z}}$ | (1a) | Ba I |
| $\mathbf{B_{2}}$ | = | $z_{2} \, \mathbf{a}_{3}$ | = | $c z_{2} \,\mathbf{\hat{z}}$ | (1a) | Ba II |
| $\mathbf{B_{3}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (1b) | Ba III |
| $\mathbf{B_{4}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (1b) | Ba IV |
| $\mathbf{B_{5}}$ | = | $x_{5} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}+a y_{5} \,\mathbf{\hat{y}}+c z_{5} \,\mathbf{\hat{z}}$ | (4d) | Cr I |
| $\mathbf{B_{6}}$ | = | $- x_{5} \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}- a y_{5} \,\mathbf{\hat{y}}+c z_{5} \,\mathbf{\hat{z}}$ | (4d) | Cr I |
| $\mathbf{B_{7}}$ | = | $- y_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $- a y_{5} \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}+c z_{5} \,\mathbf{\hat{z}}$ | (4d) | Cr I |
| $\mathbf{B_{8}}$ | = | $y_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $a y_{5} \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}+c z_{5} \,\mathbf{\hat{z}}$ | (4d) | Cr I |
| $\mathbf{B_{9}}$ | = | $x_{6} \, \mathbf{a}_{1}+y_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $a x_{6} \,\mathbf{\hat{x}}+a y_{6} \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ | (4d) | Cr II |
| $\mathbf{B_{10}}$ | = | $- x_{6} \, \mathbf{a}_{1}- y_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $- a x_{6} \,\mathbf{\hat{x}}- a y_{6} \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ | (4d) | Cr II |
| $\mathbf{B_{11}}$ | = | $- y_{6} \, \mathbf{a}_{1}+x_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $- a y_{6} \,\mathbf{\hat{x}}+a x_{6} \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ | (4d) | Cr II |
| $\mathbf{B_{12}}$ | = | $y_{6} \, \mathbf{a}_{1}- x_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $a y_{6} \,\mathbf{\hat{x}}- a x_{6} \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ | (4d) | Cr II |
| $\mathbf{B_{13}}$ | = | $x_{7} \, \mathbf{a}_{1}+y_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ | = | $a x_{7} \,\mathbf{\hat{x}}+a y_{7} \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ | (4d) | O I |
| $\mathbf{B_{14}}$ | = | $- x_{7} \, \mathbf{a}_{1}- y_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ | = | $- a x_{7} \,\mathbf{\hat{x}}- a y_{7} \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ | (4d) | O I |
| $\mathbf{B_{15}}$ | = | $- y_{7} \, \mathbf{a}_{1}+x_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ | = | $- a y_{7} \,\mathbf{\hat{x}}+a x_{7} \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ | (4d) | O I |
| $\mathbf{B_{16}}$ | = | $y_{7} \, \mathbf{a}_{1}- x_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ | = | $a y_{7} \,\mathbf{\hat{x}}- a x_{7} \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ | (4d) | O I |
| $\mathbf{B_{17}}$ | = | $x_{8} \, \mathbf{a}_{1}+y_{8} \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ | = | $a x_{8} \,\mathbf{\hat{x}}+a y_{8} \,\mathbf{\hat{y}}+c z_{8} \,\mathbf{\hat{z}}$ | (4d) | O II |
| $\mathbf{B_{18}}$ | = | $- x_{8} \, \mathbf{a}_{1}- y_{8} \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ | = | $- a x_{8} \,\mathbf{\hat{x}}- a y_{8} \,\mathbf{\hat{y}}+c z_{8} \,\mathbf{\hat{z}}$ | (4d) | O II |
| $\mathbf{B_{19}}$ | = | $- y_{8} \, \mathbf{a}_{1}+x_{8} \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ | = | $- a y_{8} \,\mathbf{\hat{x}}+a x_{8} \,\mathbf{\hat{y}}+c z_{8} \,\mathbf{\hat{z}}$ | (4d) | O II |
| $\mathbf{B_{20}}$ | = | $y_{8} \, \mathbf{a}_{1}- x_{8} \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ | = | $a y_{8} \,\mathbf{\hat{x}}- a x_{8} \,\mathbf{\hat{y}}+c z_{8} \,\mathbf{\hat{z}}$ | (4d) | O II |
| $\mathbf{B_{21}}$ | = | $x_{9} \, \mathbf{a}_{1}+y_{9} \, \mathbf{a}_{2}+z_{9} \, \mathbf{a}_{3}$ | = | $a x_{9} \,\mathbf{\hat{x}}+a y_{9} \,\mathbf{\hat{y}}+c z_{9} \,\mathbf{\hat{z}}$ | (4d) | O III |
| $\mathbf{B_{22}}$ | = | $- x_{9} \, \mathbf{a}_{1}- y_{9} \, \mathbf{a}_{2}+z_{9} \, \mathbf{a}_{3}$ | = | $- a x_{9} \,\mathbf{\hat{x}}- a y_{9} \,\mathbf{\hat{y}}+c z_{9} \,\mathbf{\hat{z}}$ | (4d) | O III |
| $\mathbf{B_{23}}$ | = | $- y_{9} \, \mathbf{a}_{1}+x_{9} \, \mathbf{a}_{2}+z_{9} \, \mathbf{a}_{3}$ | = | $- a y_{9} \,\mathbf{\hat{x}}+a x_{9} \,\mathbf{\hat{y}}+c z_{9} \,\mathbf{\hat{z}}$ | (4d) | O III |
| $\mathbf{B_{24}}$ | = | $y_{9} \, \mathbf{a}_{1}- x_{9} \, \mathbf{a}_{2}+z_{9} \, \mathbf{a}_{3}$ | = | $a y_{9} \,\mathbf{\hat{x}}- a x_{9} \,\mathbf{\hat{y}}+c z_{9} \,\mathbf{\hat{z}}$ | (4d) | O III |
| $\mathbf{B_{25}}$ | = | $x_{10} \, \mathbf{a}_{1}+y_{10} \, \mathbf{a}_{2}+z_{10} \, \mathbf{a}_{3}$ | = | $a x_{10} \,\mathbf{\hat{x}}+a y_{10} \,\mathbf{\hat{y}}+c z_{10} \,\mathbf{\hat{z}}$ | (4d) | O IV |
| $\mathbf{B_{26}}$ | = | $- x_{10} \, \mathbf{a}_{1}- y_{10} \, \mathbf{a}_{2}+z_{10} \, \mathbf{a}_{3}$ | = | $- a x_{10} \,\mathbf{\hat{x}}- a y_{10} \,\mathbf{\hat{y}}+c z_{10} \,\mathbf{\hat{z}}$ | (4d) | O IV |
| $\mathbf{B_{27}}$ | = | $- y_{10} \, \mathbf{a}_{1}+x_{10} \, \mathbf{a}_{2}+z_{10} \, \mathbf{a}_{3}$ | = | $- a y_{10} \,\mathbf{\hat{x}}+a x_{10} \,\mathbf{\hat{y}}+c z_{10} \,\mathbf{\hat{z}}$ | (4d) | O IV |
| $\mathbf{B_{28}}$ | = | $y_{10} \, \mathbf{a}_{1}- x_{10} \, \mathbf{a}_{2}+z_{10} \, \mathbf{a}_{3}$ | = | $a y_{10} \,\mathbf{\hat{x}}- a x_{10} \,\mathbf{\hat{y}}+c z_{10} \,\mathbf{\hat{z}}$ | (4d) | O IV |
| $\mathbf{B_{29}}$ | = | $x_{11} \, \mathbf{a}_{1}+y_{11} \, \mathbf{a}_{2}+z_{11} \, \mathbf{a}_{3}$ | = | $a x_{11} \,\mathbf{\hat{x}}+a y_{11} \,\mathbf{\hat{y}}+c z_{11} \,\mathbf{\hat{z}}$ | (4d) | O V |
| $\mathbf{B_{30}}$ | = | $- x_{11} \, \mathbf{a}_{1}- y_{11} \, \mathbf{a}_{2}+z_{11} \, \mathbf{a}_{3}$ | = | $- a x_{11} \,\mathbf{\hat{x}}- a y_{11} \,\mathbf{\hat{y}}+c z_{11} \,\mathbf{\hat{z}}$ | (4d) | O V |
| $\mathbf{B_{31}}$ | = | $- y_{11} \, \mathbf{a}_{1}+x_{11} \, \mathbf{a}_{2}+z_{11} \, \mathbf{a}_{3}$ | = | $- a y_{11} \,\mathbf{\hat{x}}+a x_{11} \,\mathbf{\hat{y}}+c z_{11} \,\mathbf{\hat{z}}$ | (4d) | O V |
| $\mathbf{B_{32}}$ | = | $y_{11} \, \mathbf{a}_{1}- x_{11} \, \mathbf{a}_{2}+z_{11} \, \mathbf{a}_{3}$ | = | $a y_{11} \,\mathbf{\hat{x}}- a x_{11} \,\mathbf{\hat{y}}+c z_{11} \,\mathbf{\hat{z}}$ | (4d) | O V |
| $\mathbf{B_{33}}$ | = | $x_{12} \, \mathbf{a}_{1}+y_{12} \, \mathbf{a}_{2}+z_{12} \, \mathbf{a}_{3}$ | = | $a x_{12} \,\mathbf{\hat{x}}+a y_{12} \,\mathbf{\hat{y}}+c z_{12} \,\mathbf{\hat{z}}$ | (4d) | O VI |
| $\mathbf{B_{34}}$ | = | $- x_{12} \, \mathbf{a}_{1}- y_{12} \, \mathbf{a}_{2}+z_{12} \, \mathbf{a}_{3}$ | = | $- a x_{12} \,\mathbf{\hat{x}}- a y_{12} \,\mathbf{\hat{y}}+c z_{12} \,\mathbf{\hat{z}}$ | (4d) | O VI |
| $\mathbf{B_{35}}$ | = | $- y_{12} \, \mathbf{a}_{1}+x_{12} \, \mathbf{a}_{2}+z_{12} \, \mathbf{a}_{3}$ | = | $- a y_{12} \,\mathbf{\hat{x}}+a x_{12} \,\mathbf{\hat{y}}+c z_{12} \,\mathbf{\hat{z}}$ | (4d) | O VI |
| $\mathbf{B_{36}}$ | = | $y_{12} \, \mathbf{a}_{1}- x_{12} \, \mathbf{a}_{2}+z_{12} \, \mathbf{a}_{3}$ | = | $a y_{12} \,\mathbf{\hat{x}}- a x_{12} \,\mathbf{\hat{y}}+c z_{12} \,\mathbf{\hat{z}}$ | (4d) | O VI |
| $\mathbf{B_{37}}$ | = | $x_{13} \, \mathbf{a}_{1}+y_{13} \, \mathbf{a}_{2}+z_{13} \, \mathbf{a}_{3}$ | = | $a x_{13} \,\mathbf{\hat{x}}+a y_{13} \,\mathbf{\hat{y}}+c z_{13} \,\mathbf{\hat{z}}$ | (4d) | O VII |
| $\mathbf{B_{38}}$ | = | $- x_{13} \, \mathbf{a}_{1}- y_{13} \, \mathbf{a}_{2}+z_{13} \, \mathbf{a}_{3}$ | = | $- a x_{13} \,\mathbf{\hat{x}}- a y_{13} \,\mathbf{\hat{y}}+c z_{13} \,\mathbf{\hat{z}}$ | (4d) | O VII |
| $\mathbf{B_{39}}$ | = | $- y_{13} \, \mathbf{a}_{1}+x_{13} \, \mathbf{a}_{2}+z_{13} \, \mathbf{a}_{3}$ | = | $- a y_{13} \,\mathbf{\hat{x}}+a x_{13} \,\mathbf{\hat{y}}+c z_{13} \,\mathbf{\hat{z}}$ | (4d) | O VII |
| $\mathbf{B_{40}}$ | = | $y_{13} \, \mathbf{a}_{1}- x_{13} \, \mathbf{a}_{2}+z_{13} \, \mathbf{a}_{3}$ | = | $a y_{13} \,\mathbf{\hat{x}}- a x_{13} \,\mathbf{\hat{y}}+c z_{13} \,\mathbf{\hat{z}}$ | (4d) | O VII |
| $\mathbf{B_{41}}$ | = | $x_{14} \, \mathbf{a}_{1}+y_{14} \, \mathbf{a}_{2}+z_{14} \, \mathbf{a}_{3}$ | = | $a x_{14} \,\mathbf{\hat{x}}+a y_{14} \,\mathbf{\hat{y}}+c z_{14} \,\mathbf{\hat{z}}$ | (4d) | O VIII |
| $\mathbf{B_{42}}$ | = | $- x_{14} \, \mathbf{a}_{1}- y_{14} \, \mathbf{a}_{2}+z_{14} \, \mathbf{a}_{3}$ | = | $- a x_{14} \,\mathbf{\hat{x}}- a y_{14} \,\mathbf{\hat{y}}+c z_{14} \,\mathbf{\hat{z}}$ | (4d) | O VIII |
| $\mathbf{B_{43}}$ | = | $- y_{14} \, \mathbf{a}_{1}+x_{14} \, \mathbf{a}_{2}+z_{14} \, \mathbf{a}_{3}$ | = | $- a y_{14} \,\mathbf{\hat{x}}+a x_{14} \,\mathbf{\hat{y}}+c z_{14} \,\mathbf{\hat{z}}$ | (4d) | O VIII |
| $\mathbf{B_{44}}$ | = | $y_{14} \, \mathbf{a}_{1}- x_{14} \, \mathbf{a}_{2}+z_{14} \, \mathbf{a}_{3}$ | = | $a y_{14} \,\mathbf{\hat{x}}- a x_{14} \,\mathbf{\hat{y}}+c z_{14} \,\mathbf{\hat{z}}$ | (4d) | O VIII |
| $\mathbf{B_{45}}$ | = | $x_{15} \, \mathbf{a}_{1}+y_{15} \, \mathbf{a}_{2}+z_{15} \, \mathbf{a}_{3}$ | = | $a x_{15} \,\mathbf{\hat{x}}+a y_{15} \,\mathbf{\hat{y}}+c z_{15} \,\mathbf{\hat{z}}$ | (4d) | O IX |
| $\mathbf{B_{46}}$ | = | $- x_{15} \, \mathbf{a}_{1}- y_{15} \, \mathbf{a}_{2}+z_{15} \, \mathbf{a}_{3}$ | = | $- a x_{15} \,\mathbf{\hat{x}}- a y_{15} \,\mathbf{\hat{y}}+c z_{15} \,\mathbf{\hat{z}}$ | (4d) | O IX |
| $\mathbf{B_{47}}$ | = | $- y_{15} \, \mathbf{a}_{1}+x_{15} \, \mathbf{a}_{2}+z_{15} \, \mathbf{a}_{3}$ | = | $- a y_{15} \,\mathbf{\hat{x}}+a x_{15} \,\mathbf{\hat{y}}+c z_{15} \,\mathbf{\hat{z}}$ | (4d) | O IX |
| $\mathbf{B_{48}}$ | = | $y_{15} \, \mathbf{a}_{1}- x_{15} \, \mathbf{a}_{2}+z_{15} \, \mathbf{a}_{3}$ | = | $a y_{15} \,\mathbf{\hat{x}}- a x_{15} \,\mathbf{\hat{y}}+c z_{15} \,\mathbf{\hat{z}}$ | (4d) | O IX |
| $\mathbf{B_{49}}$ | = | $x_{16} \, \mathbf{a}_{1}+y_{16} \, \mathbf{a}_{2}+z_{16} \, \mathbf{a}_{3}$ | = | $a x_{16} \,\mathbf{\hat{x}}+a y_{16} \,\mathbf{\hat{y}}+c z_{16} \,\mathbf{\hat{z}}$ | (4d) | O X |
| $\mathbf{B_{50}}$ | = | $- x_{16} \, \mathbf{a}_{1}- y_{16} \, \mathbf{a}_{2}+z_{16} \, \mathbf{a}_{3}$ | = | $- a x_{16} \,\mathbf{\hat{x}}- a y_{16} \,\mathbf{\hat{y}}+c z_{16} \,\mathbf{\hat{z}}$ | (4d) | O X |
| $\mathbf{B_{51}}$ | = | $- y_{16} \, \mathbf{a}_{1}+x_{16} \, \mathbf{a}_{2}+z_{16} \, \mathbf{a}_{3}$ | = | $- a y_{16} \,\mathbf{\hat{x}}+a x_{16} \,\mathbf{\hat{y}}+c z_{16} \,\mathbf{\hat{z}}$ | (4d) | O X |
| $\mathbf{B_{52}}$ | = | $y_{16} \, \mathbf{a}_{1}- x_{16} \, \mathbf{a}_{2}+z_{16} \, \mathbf{a}_{3}$ | = | $a y_{16} \,\mathbf{\hat{x}}- a x_{16} \,\mathbf{\hat{y}}+c z_{16} \,\mathbf{\hat{z}}$ | (4d) | O X |
| $\mathbf{B_{53}}$ | = | $x_{17} \, \mathbf{a}_{1}+y_{17} \, \mathbf{a}_{2}+z_{17} \, \mathbf{a}_{3}$ | = | $a x_{17} \,\mathbf{\hat{x}}+a y_{17} \,\mathbf{\hat{y}}+c z_{17} \,\mathbf{\hat{z}}$ | (4d) | O XI |
| $\mathbf{B_{54}}$ | = | $- x_{17} \, \mathbf{a}_{1}- y_{17} \, \mathbf{a}_{2}+z_{17} \, \mathbf{a}_{3}$ | = | $- a x_{17} \,\mathbf{\hat{x}}- a y_{17} \,\mathbf{\hat{y}}+c z_{17} \,\mathbf{\hat{z}}$ | (4d) | O XI |
| $\mathbf{B_{55}}$ | = | $- y_{17} \, \mathbf{a}_{1}+x_{17} \, \mathbf{a}_{2}+z_{17} \, \mathbf{a}_{3}$ | = | $- a y_{17} \,\mathbf{\hat{x}}+a x_{17} \,\mathbf{\hat{y}}+c z_{17} \,\mathbf{\hat{z}}$ | (4d) | O XI |
| $\mathbf{B_{56}}$ | = | $y_{17} \, \mathbf{a}_{1}- x_{17} \, \mathbf{a}_{2}+z_{17} \, \mathbf{a}_{3}$ | = | $a y_{17} \,\mathbf{\hat{x}}- a x_{17} \,\mathbf{\hat{y}}+c z_{17} \,\mathbf{\hat{z}}$ | (4d) | O XI |
| $\mathbf{B_{57}}$ | = | $x_{18} \, \mathbf{a}_{1}+y_{18} \, \mathbf{a}_{2}+z_{18} \, \mathbf{a}_{3}$ | = | $a x_{18} \,\mathbf{\hat{x}}+a y_{18} \,\mathbf{\hat{y}}+c z_{18} \,\mathbf{\hat{z}}$ | (4d) | O XII |
| $\mathbf{B_{58}}$ | = | $- x_{18} \, \mathbf{a}_{1}- y_{18} \, \mathbf{a}_{2}+z_{18} \, \mathbf{a}_{3}$ | = | $- a x_{18} \,\mathbf{\hat{x}}- a y_{18} \,\mathbf{\hat{y}}+c z_{18} \,\mathbf{\hat{z}}$ | (4d) | O XII |
| $\mathbf{B_{59}}$ | = | $- y_{18} \, \mathbf{a}_{1}+x_{18} \, \mathbf{a}_{2}+z_{18} \, \mathbf{a}_{3}$ | = | $- a y_{18} \,\mathbf{\hat{x}}+a x_{18} \,\mathbf{\hat{y}}+c z_{18} \,\mathbf{\hat{z}}$ | (4d) | O XII |
| $\mathbf{B_{60}}$ | = | $y_{18} \, \mathbf{a}_{1}- x_{18} \, \mathbf{a}_{2}+z_{18} \, \mathbf{a}_{3}$ | = | $a y_{18} \,\mathbf{\hat{x}}- a x_{18} \,\mathbf{\hat{y}}+c z_{18} \,\mathbf{\hat{z}}$ | (4d) | O XII |
| $\mathbf{B_{61}}$ | = | $x_{19} \, \mathbf{a}_{1}+y_{19} \, \mathbf{a}_{2}+z_{19} \, \mathbf{a}_{3}$ | = | $a x_{19} \,\mathbf{\hat{x}}+a y_{19} \,\mathbf{\hat{y}}+c z_{19} \,\mathbf{\hat{z}}$ | (4d) | Ru I |
| $\mathbf{B_{62}}$ | = | $- x_{19} \, \mathbf{a}_{1}- y_{19} \, \mathbf{a}_{2}+z_{19} \, \mathbf{a}_{3}$ | = | $- a x_{19} \,\mathbf{\hat{x}}- a y_{19} \,\mathbf{\hat{y}}+c z_{19} \,\mathbf{\hat{z}}$ | (4d) | Ru I |
| $\mathbf{B_{63}}$ | = | $- y_{19} \, \mathbf{a}_{1}+x_{19} \, \mathbf{a}_{2}+z_{19} \, \mathbf{a}_{3}$ | = | $- a y_{19} \,\mathbf{\hat{x}}+a x_{19} \,\mathbf{\hat{y}}+c z_{19} \,\mathbf{\hat{z}}$ | (4d) | Ru I |
| $\mathbf{B_{64}}$ | = | $y_{19} \, \mathbf{a}_{1}- x_{19} \, \mathbf{a}_{2}+z_{19} \, \mathbf{a}_{3}$ | = | $a y_{19} \,\mathbf{\hat{x}}- a x_{19} \,\mathbf{\hat{y}}+c z_{19} \,\mathbf{\hat{z}}$ | (4d) | Ru I |
| $\mathbf{B_{65}}$ | = | $x_{20} \, \mathbf{a}_{1}+y_{20} \, \mathbf{a}_{2}+z_{20} \, \mathbf{a}_{3}$ | = | $a x_{20} \,\mathbf{\hat{x}}+a y_{20} \,\mathbf{\hat{y}}+c z_{20} \,\mathbf{\hat{z}}$ | (4d) | Ru II |
| $\mathbf{B_{66}}$ | = | $- x_{20} \, \mathbf{a}_{1}- y_{20} \, \mathbf{a}_{2}+z_{20} \, \mathbf{a}_{3}$ | = | $- a x_{20} \,\mathbf{\hat{x}}- a y_{20} \,\mathbf{\hat{y}}+c z_{20} \,\mathbf{\hat{z}}$ | (4d) | Ru II |
| $\mathbf{B_{67}}$ | = | $- y_{20} \, \mathbf{a}_{1}+x_{20} \, \mathbf{a}_{2}+z_{20} \, \mathbf{a}_{3}$ | = | $- a y_{20} \,\mathbf{\hat{x}}+a x_{20} \,\mathbf{\hat{y}}+c z_{20} \,\mathbf{\hat{z}}$ | (4d) | Ru II |
| $\mathbf{B_{68}}$ | = | $y_{20} \, \mathbf{a}_{1}- x_{20} \, \mathbf{a}_{2}+z_{20} \, \mathbf{a}_{3}$ | = | $a y_{20} \,\mathbf{\hat{x}}- a x_{20} \,\mathbf{\hat{y}}+c z_{20} \,\mathbf{\hat{z}}$ | (4d) | Ru II |
| $\mathbf{B_{69}}$ | = | $x_{21} \, \mathbf{a}_{1}+y_{21} \, \mathbf{a}_{2}+z_{21} \, \mathbf{a}_{3}$ | = | $a x_{21} \,\mathbf{\hat{x}}+a y_{21} \,\mathbf{\hat{y}}+c z_{21} \,\mathbf{\hat{z}}$ | (4d) | Ru III |
| $\mathbf{B_{70}}$ | = | $- x_{21} \, \mathbf{a}_{1}- y_{21} \, \mathbf{a}_{2}+z_{21} \, \mathbf{a}_{3}$ | = | $- a x_{21} \,\mathbf{\hat{x}}- a y_{21} \,\mathbf{\hat{y}}+c z_{21} \,\mathbf{\hat{z}}$ | (4d) | Ru III |
| $\mathbf{B_{71}}$ | = | $- y_{21} \, \mathbf{a}_{1}+x_{21} \, \mathbf{a}_{2}+z_{21} \, \mathbf{a}_{3}$ | = | $- a y_{21} \,\mathbf{\hat{x}}+a x_{21} \,\mathbf{\hat{y}}+c z_{21} \,\mathbf{\hat{z}}$ | (4d) | Ru III |
| $\mathbf{B_{72}}$ | = | $y_{21} \, \mathbf{a}_{1}- x_{21} \, \mathbf{a}_{2}+z_{21} \, \mathbf{a}_{3}$ | = | $a y_{21} \,\mathbf{\hat{x}}- a x_{21} \,\mathbf{\hat{y}}+c z_{21} \,\mathbf{\hat{z}}$ | (4d) | Ru III |
| $\mathbf{B_{73}}$ | = | $x_{22} \, \mathbf{a}_{1}+y_{22} \, \mathbf{a}_{2}+z_{22} \, \mathbf{a}_{3}$ | = | $a x_{22} \,\mathbf{\hat{x}}+a y_{22} \,\mathbf{\hat{y}}+c z_{22} \,\mathbf{\hat{z}}$ | (4d) | Ru IV |
| $\mathbf{B_{74}}$ | = | $- x_{22} \, \mathbf{a}_{1}- y_{22} \, \mathbf{a}_{2}+z_{22} \, \mathbf{a}_{3}$ | = | $- a x_{22} \,\mathbf{\hat{x}}- a y_{22} \,\mathbf{\hat{y}}+c z_{22} \,\mathbf{\hat{z}}$ | (4d) | Ru IV |
| $\mathbf{B_{75}}$ | = | $- y_{22} \, \mathbf{a}_{1}+x_{22} \, \mathbf{a}_{2}+z_{22} \, \mathbf{a}_{3}$ | = | $- a y_{22} \,\mathbf{\hat{x}}+a x_{22} \,\mathbf{\hat{y}}+c z_{22} \,\mathbf{\hat{z}}$ | (4d) | Ru IV |
| $\mathbf{B_{76}}$ | = | $y_{22} \, \mathbf{a}_{1}- x_{22} \, \mathbf{a}_{2}+z_{22} \, \mathbf{a}_{3}$ | = | $a y_{22} \,\mathbf{\hat{x}}- a x_{22} \,\mathbf{\hat{y}}+c z_{22} \,\mathbf{\hat{z}}$ | (4d) | Ru IV |
References
- M. C. Cadée and A. Proden, Tripling of the short axis in the hollandite structure, Mater. Res. Bull. 14, 613–618 (1979), doi:10.1016/0025-5408(79)90043-6.
Found in
- P. Villars, Ba0.65Ru2.7Cr1.3O8 (BaCr2Ru4O12) Crystal Structure (2016). PAULING FILE in: Inorganic Solid Phases, SpringerMaterials (online database), Springer, Heidelberg (ed.) SpringerMaterials.
Prototype Generator
aflow --proto=AB2C12D4_tP76_75_2a2b_2d_12d_4d --params=$a,c/a,z_{1},z_{2},z_{3},z_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6},x_{7},y_{7},z_{7},x_{8},y_{8},z_{8},x_{9},y_{9},z_{9},x_{10},y_{10},z_{10},x_{11},y_{11},z_{11},x_{12},y_{12},z_{12},x_{13},y_{13},z_{13},x_{14},y_{14},z_{14},x_{15},y_{15},z_{15},x_{16},y_{16},z_{16},x_{17},y_{17},z_{17},x_{18},y_{18},z_{18},x_{19},y_{19},z_{19},x_{20},y_{20},z_{20},x_{21},y_{21},z_{21},x_{22},y_{22},z_{22}$