Orthorhombic Fullerene (Cs$_{3}$C$_{60}$) Structure: A15B_oI128_71_lmn6o_eg-001
| Prototype | C$_{60}$Cs$_{3}$ |
| AFLOW prototype label | A15B_oI128_71_lmn6o_eg-001 |
| ICSD | None |
| Pearson symbol | oI128 |
| Space group number | 71 |
| Space group symbol | $Immm$ |
| AFLOW prototype command |
aflow --proto=A15B_oI128_71_lmn6o_eg-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak x_{1}, \allowbreak y_{2}, \allowbreak y_{3}, \allowbreak z_{3}, \allowbreak x_{4}, \allowbreak z_{4}, \allowbreak x_{5}, \allowbreak y_{5}, \allowbreak x_{6}, \allowbreak y_{6}, \allowbreak z_{6}, \allowbreak x_{7}, \allowbreak y_{7}, \allowbreak z_{7}, \allowbreak x_{8}, \allowbreak y_{8}, \allowbreak z_{8}, \allowbreak x_{9}, \allowbreak y_{9}, \allowbreak z_{9}, \allowbreak x_{10}, \allowbreak y_{10}, \allowbreak z_{10}, \allowbreak x_{11}, \allowbreak y_{11}, \allowbreak z_{11}$ |
- The Cesium (4e) and (4g) sites each have 75% occupancy.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}b \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $x_{1} \, \mathbf{a}_{2}+x_{1} \, \mathbf{a}_{3}$ | = | $a x_{1} \,\mathbf{\hat{x}}$ | (4e) | Cs I |
| $\mathbf{B_{2}}$ | = | $- x_{1} \, \mathbf{a}_{2}- x_{1} \, \mathbf{a}_{3}$ | = | $- a x_{1} \,\mathbf{\hat{x}}$ | (4e) | Cs I |
| $\mathbf{B_{3}}$ | = | $y_{2} \, \mathbf{a}_{1}+y_{2} \, \mathbf{a}_{3}$ | = | $b y_{2} \,\mathbf{\hat{y}}$ | (4g) | Cs II |
| $\mathbf{B_{4}}$ | = | $- y_{2} \, \mathbf{a}_{1}- y_{2} \, \mathbf{a}_{3}$ | = | $- b y_{2} \,\mathbf{\hat{y}}$ | (4g) | Cs II |
| $\mathbf{B_{5}}$ | = | $\left(y_{3} + z_{3}\right) \, \mathbf{a}_{1}+z_{3} \, \mathbf{a}_{2}+y_{3} \, \mathbf{a}_{3}$ | = | $b y_{3} \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (8l) | C I |
| $\mathbf{B_{6}}$ | = | $- \left(y_{3} - z_{3}\right) \, \mathbf{a}_{1}+z_{3} \, \mathbf{a}_{2}- y_{3} \, \mathbf{a}_{3}$ | = | $- b y_{3} \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (8l) | C I |
| $\mathbf{B_{7}}$ | = | $\left(y_{3} - z_{3}\right) \, \mathbf{a}_{1}- z_{3} \, \mathbf{a}_{2}+y_{3} \, \mathbf{a}_{3}$ | = | $b y_{3} \,\mathbf{\hat{y}}- c z_{3} \,\mathbf{\hat{z}}$ | (8l) | C I |
| $\mathbf{B_{8}}$ | = | $- \left(y_{3} + z_{3}\right) \, \mathbf{a}_{1}- z_{3} \, \mathbf{a}_{2}- y_{3} \, \mathbf{a}_{3}$ | = | $- b y_{3} \,\mathbf{\hat{y}}- c z_{3} \,\mathbf{\hat{z}}$ | (8l) | C I |
| $\mathbf{B_{9}}$ | = | $z_{4} \, \mathbf{a}_{1}+\left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{x}}+c z_{4} \,\mathbf{\hat{z}}$ | (8m) | C II |
| $\mathbf{B_{10}}$ | = | $z_{4} \, \mathbf{a}_{1}- \left(x_{4} - z_{4}\right) \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{x}}+c z_{4} \,\mathbf{\hat{z}}$ | (8m) | C II |
| $\mathbf{B_{11}}$ | = | $- z_{4} \, \mathbf{a}_{1}- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{x}}- c z_{4} \,\mathbf{\hat{z}}$ | (8m) | C II |
| $\mathbf{B_{12}}$ | = | $- z_{4} \, \mathbf{a}_{1}+\left(x_{4} - z_{4}\right) \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{x}}- c z_{4} \,\mathbf{\hat{z}}$ | (8m) | C II |
| $\mathbf{B_{13}}$ | = | $y_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+\left(x_{5} + y_{5}\right) \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}+b y_{5} \,\mathbf{\hat{y}}$ | (8n) | C III |
| $\mathbf{B_{14}}$ | = | $- y_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}- \left(x_{5} + y_{5}\right) \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}- b y_{5} \,\mathbf{\hat{y}}$ | (8n) | C III |
| $\mathbf{B_{15}}$ | = | $y_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}- \left(x_{5} - y_{5}\right) \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}+b y_{5} \,\mathbf{\hat{y}}$ | (8n) | C III |
| $\mathbf{B_{16}}$ | = | $- y_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+\left(x_{5} - y_{5}\right) \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}- b y_{5} \,\mathbf{\hat{y}}$ | (8n) | C III |
| $\mathbf{B_{17}}$ | = | $\left(y_{6} + z_{6}\right) \, \mathbf{a}_{1}+\left(x_{6} + z_{6}\right) \, \mathbf{a}_{2}+\left(x_{6} + y_{6}\right) \, \mathbf{a}_{3}$ | = | $a x_{6} \,\mathbf{\hat{x}}+b y_{6} \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ | (16o) | C IV |
| $\mathbf{B_{18}}$ | = | $- \left(y_{6} - z_{6}\right) \, \mathbf{a}_{1}- \left(x_{6} - z_{6}\right) \, \mathbf{a}_{2}- \left(x_{6} + y_{6}\right) \, \mathbf{a}_{3}$ | = | $- a x_{6} \,\mathbf{\hat{x}}- b y_{6} \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ | (16o) | C IV |
| $\mathbf{B_{19}}$ | = | $\left(y_{6} - z_{6}\right) \, \mathbf{a}_{1}- \left(x_{6} + z_{6}\right) \, \mathbf{a}_{2}- \left(x_{6} - y_{6}\right) \, \mathbf{a}_{3}$ | = | $- a x_{6} \,\mathbf{\hat{x}}+b y_{6} \,\mathbf{\hat{y}}- c z_{6} \,\mathbf{\hat{z}}$ | (16o) | C IV |
| $\mathbf{B_{20}}$ | = | $- \left(y_{6} + z_{6}\right) \, \mathbf{a}_{1}+\left(x_{6} - z_{6}\right) \, \mathbf{a}_{2}+\left(x_{6} - y_{6}\right) \, \mathbf{a}_{3}$ | = | $a x_{6} \,\mathbf{\hat{x}}- b y_{6} \,\mathbf{\hat{y}}- c z_{6} \,\mathbf{\hat{z}}$ | (16o) | C IV |
| $\mathbf{B_{21}}$ | = | $- \left(y_{6} + z_{6}\right) \, \mathbf{a}_{1}- \left(x_{6} + z_{6}\right) \, \mathbf{a}_{2}- \left(x_{6} + y_{6}\right) \, \mathbf{a}_{3}$ | = | $- a x_{6} \,\mathbf{\hat{x}}- b y_{6} \,\mathbf{\hat{y}}- c z_{6} \,\mathbf{\hat{z}}$ | (16o) | C IV |
| $\mathbf{B_{22}}$ | = | $\left(y_{6} - z_{6}\right) \, \mathbf{a}_{1}+\left(x_{6} - z_{6}\right) \, \mathbf{a}_{2}+\left(x_{6} + y_{6}\right) \, \mathbf{a}_{3}$ | = | $a x_{6} \,\mathbf{\hat{x}}+b y_{6} \,\mathbf{\hat{y}}- c z_{6} \,\mathbf{\hat{z}}$ | (16o) | C IV |
| $\mathbf{B_{23}}$ | = | $- \left(y_{6} - z_{6}\right) \, \mathbf{a}_{1}+\left(x_{6} + z_{6}\right) \, \mathbf{a}_{2}+\left(x_{6} - y_{6}\right) \, \mathbf{a}_{3}$ | = | $a x_{6} \,\mathbf{\hat{x}}- b y_{6} \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ | (16o) | C IV |
| $\mathbf{B_{24}}$ | = | $\left(y_{6} + z_{6}\right) \, \mathbf{a}_{1}- \left(x_{6} - z_{6}\right) \, \mathbf{a}_{2}- \left(x_{6} - y_{6}\right) \, \mathbf{a}_{3}$ | = | $- a x_{6} \,\mathbf{\hat{x}}+b y_{6} \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ | (16o) | C IV |
| $\mathbf{B_{25}}$ | = | $\left(y_{7} + z_{7}\right) \, \mathbf{a}_{1}+\left(x_{7} + z_{7}\right) \, \mathbf{a}_{2}+\left(x_{7} + y_{7}\right) \, \mathbf{a}_{3}$ | = | $a x_{7} \,\mathbf{\hat{x}}+b y_{7} \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ | (16o) | C V |
| $\mathbf{B_{26}}$ | = | $- \left(y_{7} - z_{7}\right) \, \mathbf{a}_{1}- \left(x_{7} - z_{7}\right) \, \mathbf{a}_{2}- \left(x_{7} + y_{7}\right) \, \mathbf{a}_{3}$ | = | $- a x_{7} \,\mathbf{\hat{x}}- b y_{7} \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ | (16o) | C V |
| $\mathbf{B_{27}}$ | = | $\left(y_{7} - z_{7}\right) \, \mathbf{a}_{1}- \left(x_{7} + z_{7}\right) \, \mathbf{a}_{2}- \left(x_{7} - y_{7}\right) \, \mathbf{a}_{3}$ | = | $- a x_{7} \,\mathbf{\hat{x}}+b y_{7} \,\mathbf{\hat{y}}- c z_{7} \,\mathbf{\hat{z}}$ | (16o) | C V |
| $\mathbf{B_{28}}$ | = | $- \left(y_{7} + z_{7}\right) \, \mathbf{a}_{1}+\left(x_{7} - z_{7}\right) \, \mathbf{a}_{2}+\left(x_{7} - y_{7}\right) \, \mathbf{a}_{3}$ | = | $a x_{7} \,\mathbf{\hat{x}}- b y_{7} \,\mathbf{\hat{y}}- c z_{7} \,\mathbf{\hat{z}}$ | (16o) | C V |
| $\mathbf{B_{29}}$ | = | $- \left(y_{7} + z_{7}\right) \, \mathbf{a}_{1}- \left(x_{7} + z_{7}\right) \, \mathbf{a}_{2}- \left(x_{7} + y_{7}\right) \, \mathbf{a}_{3}$ | = | $- a x_{7} \,\mathbf{\hat{x}}- b y_{7} \,\mathbf{\hat{y}}- c z_{7} \,\mathbf{\hat{z}}$ | (16o) | C V |
| $\mathbf{B_{30}}$ | = | $\left(y_{7} - z_{7}\right) \, \mathbf{a}_{1}+\left(x_{7} - z_{7}\right) \, \mathbf{a}_{2}+\left(x_{7} + y_{7}\right) \, \mathbf{a}_{3}$ | = | $a x_{7} \,\mathbf{\hat{x}}+b y_{7} \,\mathbf{\hat{y}}- c z_{7} \,\mathbf{\hat{z}}$ | (16o) | C V |
| $\mathbf{B_{31}}$ | = | $- \left(y_{7} - z_{7}\right) \, \mathbf{a}_{1}+\left(x_{7} + z_{7}\right) \, \mathbf{a}_{2}+\left(x_{7} - y_{7}\right) \, \mathbf{a}_{3}$ | = | $a x_{7} \,\mathbf{\hat{x}}- b y_{7} \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ | (16o) | C V |
| $\mathbf{B_{32}}$ | = | $\left(y_{7} + z_{7}\right) \, \mathbf{a}_{1}- \left(x_{7} - z_{7}\right) \, \mathbf{a}_{2}- \left(x_{7} - y_{7}\right) \, \mathbf{a}_{3}$ | = | $- a x_{7} \,\mathbf{\hat{x}}+b y_{7} \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ | (16o) | C V |
| $\mathbf{B_{33}}$ | = | $\left(y_{8} + z_{8}\right) \, \mathbf{a}_{1}+\left(x_{8} + z_{8}\right) \, \mathbf{a}_{2}+\left(x_{8} + y_{8}\right) \, \mathbf{a}_{3}$ | = | $a x_{8} \,\mathbf{\hat{x}}+b y_{8} \,\mathbf{\hat{y}}+c z_{8} \,\mathbf{\hat{z}}$ | (16o) | C VI |
| $\mathbf{B_{34}}$ | = | $- \left(y_{8} - z_{8}\right) \, \mathbf{a}_{1}- \left(x_{8} - z_{8}\right) \, \mathbf{a}_{2}- \left(x_{8} + y_{8}\right) \, \mathbf{a}_{3}$ | = | $- a x_{8} \,\mathbf{\hat{x}}- b y_{8} \,\mathbf{\hat{y}}+c z_{8} \,\mathbf{\hat{z}}$ | (16o) | C VI |
| $\mathbf{B_{35}}$ | = | $\left(y_{8} - z_{8}\right) \, \mathbf{a}_{1}- \left(x_{8} + z_{8}\right) \, \mathbf{a}_{2}- \left(x_{8} - y_{8}\right) \, \mathbf{a}_{3}$ | = | $- a x_{8} \,\mathbf{\hat{x}}+b y_{8} \,\mathbf{\hat{y}}- c z_{8} \,\mathbf{\hat{z}}$ | (16o) | C VI |
| $\mathbf{B_{36}}$ | = | $- \left(y_{8} + z_{8}\right) \, \mathbf{a}_{1}+\left(x_{8} - z_{8}\right) \, \mathbf{a}_{2}+\left(x_{8} - y_{8}\right) \, \mathbf{a}_{3}$ | = | $a x_{8} \,\mathbf{\hat{x}}- b y_{8} \,\mathbf{\hat{y}}- c z_{8} \,\mathbf{\hat{z}}$ | (16o) | C VI |
| $\mathbf{B_{37}}$ | = | $- \left(y_{8} + z_{8}\right) \, \mathbf{a}_{1}- \left(x_{8} + z_{8}\right) \, \mathbf{a}_{2}- \left(x_{8} + y_{8}\right) \, \mathbf{a}_{3}$ | = | $- a x_{8} \,\mathbf{\hat{x}}- b y_{8} \,\mathbf{\hat{y}}- c z_{8} \,\mathbf{\hat{z}}$ | (16o) | C VI |
| $\mathbf{B_{38}}$ | = | $\left(y_{8} - z_{8}\right) \, \mathbf{a}_{1}+\left(x_{8} - z_{8}\right) \, \mathbf{a}_{2}+\left(x_{8} + y_{8}\right) \, \mathbf{a}_{3}$ | = | $a x_{8} \,\mathbf{\hat{x}}+b y_{8} \,\mathbf{\hat{y}}- c z_{8} \,\mathbf{\hat{z}}$ | (16o) | C VI |
| $\mathbf{B_{39}}$ | = | $- \left(y_{8} - z_{8}\right) \, \mathbf{a}_{1}+\left(x_{8} + z_{8}\right) \, \mathbf{a}_{2}+\left(x_{8} - y_{8}\right) \, \mathbf{a}_{3}$ | = | $a x_{8} \,\mathbf{\hat{x}}- b y_{8} \,\mathbf{\hat{y}}+c z_{8} \,\mathbf{\hat{z}}$ | (16o) | C VI |
| $\mathbf{B_{40}}$ | = | $\left(y_{8} + z_{8}\right) \, \mathbf{a}_{1}- \left(x_{8} - z_{8}\right) \, \mathbf{a}_{2}- \left(x_{8} - y_{8}\right) \, \mathbf{a}_{3}$ | = | $- a x_{8} \,\mathbf{\hat{x}}+b y_{8} \,\mathbf{\hat{y}}+c z_{8} \,\mathbf{\hat{z}}$ | (16o) | C VI |
| $\mathbf{B_{41}}$ | = | $\left(y_{9} + z_{9}\right) \, \mathbf{a}_{1}+\left(x_{9} + z_{9}\right) \, \mathbf{a}_{2}+\left(x_{9} + y_{9}\right) \, \mathbf{a}_{3}$ | = | $a x_{9} \,\mathbf{\hat{x}}+b y_{9} \,\mathbf{\hat{y}}+c z_{9} \,\mathbf{\hat{z}}$ | (16o) | C VII |
| $\mathbf{B_{42}}$ | = | $- \left(y_{9} - z_{9}\right) \, \mathbf{a}_{1}- \left(x_{9} - z_{9}\right) \, \mathbf{a}_{2}- \left(x_{9} + y_{9}\right) \, \mathbf{a}_{3}$ | = | $- a x_{9} \,\mathbf{\hat{x}}- b y_{9} \,\mathbf{\hat{y}}+c z_{9} \,\mathbf{\hat{z}}$ | (16o) | C VII |
| $\mathbf{B_{43}}$ | = | $\left(y_{9} - z_{9}\right) \, \mathbf{a}_{1}- \left(x_{9} + z_{9}\right) \, \mathbf{a}_{2}- \left(x_{9} - y_{9}\right) \, \mathbf{a}_{3}$ | = | $- a x_{9} \,\mathbf{\hat{x}}+b y_{9} \,\mathbf{\hat{y}}- c z_{9} \,\mathbf{\hat{z}}$ | (16o) | C VII |
| $\mathbf{B_{44}}$ | = | $- \left(y_{9} + z_{9}\right) \, \mathbf{a}_{1}+\left(x_{9} - z_{9}\right) \, \mathbf{a}_{2}+\left(x_{9} - y_{9}\right) \, \mathbf{a}_{3}$ | = | $a x_{9} \,\mathbf{\hat{x}}- b y_{9} \,\mathbf{\hat{y}}- c z_{9} \,\mathbf{\hat{z}}$ | (16o) | C VII |
| $\mathbf{B_{45}}$ | = | $- \left(y_{9} + z_{9}\right) \, \mathbf{a}_{1}- \left(x_{9} + z_{9}\right) \, \mathbf{a}_{2}- \left(x_{9} + y_{9}\right) \, \mathbf{a}_{3}$ | = | $- a x_{9} \,\mathbf{\hat{x}}- b y_{9} \,\mathbf{\hat{y}}- c z_{9} \,\mathbf{\hat{z}}$ | (16o) | C VII |
| $\mathbf{B_{46}}$ | = | $\left(y_{9} - z_{9}\right) \, \mathbf{a}_{1}+\left(x_{9} - z_{9}\right) \, \mathbf{a}_{2}+\left(x_{9} + y_{9}\right) \, \mathbf{a}_{3}$ | = | $a x_{9} \,\mathbf{\hat{x}}+b y_{9} \,\mathbf{\hat{y}}- c z_{9} \,\mathbf{\hat{z}}$ | (16o) | C VII |
| $\mathbf{B_{47}}$ | = | $- \left(y_{9} - z_{9}\right) \, \mathbf{a}_{1}+\left(x_{9} + z_{9}\right) \, \mathbf{a}_{2}+\left(x_{9} - y_{9}\right) \, \mathbf{a}_{3}$ | = | $a x_{9} \,\mathbf{\hat{x}}- b y_{9} \,\mathbf{\hat{y}}+c z_{9} \,\mathbf{\hat{z}}$ | (16o) | C VII |
| $\mathbf{B_{48}}$ | = | $\left(y_{9} + z_{9}\right) \, \mathbf{a}_{1}- \left(x_{9} - z_{9}\right) \, \mathbf{a}_{2}- \left(x_{9} - y_{9}\right) \, \mathbf{a}_{3}$ | = | $- a x_{9} \,\mathbf{\hat{x}}+b y_{9} \,\mathbf{\hat{y}}+c z_{9} \,\mathbf{\hat{z}}$ | (16o) | C VII |
| $\mathbf{B_{49}}$ | = | $\left(y_{10} + z_{10}\right) \, \mathbf{a}_{1}+\left(x_{10} + z_{10}\right) \, \mathbf{a}_{2}+\left(x_{10} + y_{10}\right) \, \mathbf{a}_{3}$ | = | $a x_{10} \,\mathbf{\hat{x}}+b y_{10} \,\mathbf{\hat{y}}+c z_{10} \,\mathbf{\hat{z}}$ | (16o) | C VIII |
| $\mathbf{B_{50}}$ | = | $- \left(y_{10} - z_{10}\right) \, \mathbf{a}_{1}- \left(x_{10} - z_{10}\right) \, \mathbf{a}_{2}- \left(x_{10} + y_{10}\right) \, \mathbf{a}_{3}$ | = | $- a x_{10} \,\mathbf{\hat{x}}- b y_{10} \,\mathbf{\hat{y}}+c z_{10} \,\mathbf{\hat{z}}$ | (16o) | C VIII |
| $\mathbf{B_{51}}$ | = | $\left(y_{10} - z_{10}\right) \, \mathbf{a}_{1}- \left(x_{10} + z_{10}\right) \, \mathbf{a}_{2}- \left(x_{10} - y_{10}\right) \, \mathbf{a}_{3}$ | = | $- a x_{10} \,\mathbf{\hat{x}}+b y_{10} \,\mathbf{\hat{y}}- c z_{10} \,\mathbf{\hat{z}}$ | (16o) | C VIII |
| $\mathbf{B_{52}}$ | = | $- \left(y_{10} + z_{10}\right) \, \mathbf{a}_{1}+\left(x_{10} - z_{10}\right) \, \mathbf{a}_{2}+\left(x_{10} - y_{10}\right) \, \mathbf{a}_{3}$ | = | $a x_{10} \,\mathbf{\hat{x}}- b y_{10} \,\mathbf{\hat{y}}- c z_{10} \,\mathbf{\hat{z}}$ | (16o) | C VIII |
| $\mathbf{B_{53}}$ | = | $- \left(y_{10} + z_{10}\right) \, \mathbf{a}_{1}- \left(x_{10} + z_{10}\right) \, \mathbf{a}_{2}- \left(x_{10} + y_{10}\right) \, \mathbf{a}_{3}$ | = | $- a x_{10} \,\mathbf{\hat{x}}- b y_{10} \,\mathbf{\hat{y}}- c z_{10} \,\mathbf{\hat{z}}$ | (16o) | C VIII |
| $\mathbf{B_{54}}$ | = | $\left(y_{10} - z_{10}\right) \, \mathbf{a}_{1}+\left(x_{10} - z_{10}\right) \, \mathbf{a}_{2}+\left(x_{10} + y_{10}\right) \, \mathbf{a}_{3}$ | = | $a x_{10} \,\mathbf{\hat{x}}+b y_{10} \,\mathbf{\hat{y}}- c z_{10} \,\mathbf{\hat{z}}$ | (16o) | C VIII |
| $\mathbf{B_{55}}$ | = | $- \left(y_{10} - z_{10}\right) \, \mathbf{a}_{1}+\left(x_{10} + z_{10}\right) \, \mathbf{a}_{2}+\left(x_{10} - y_{10}\right) \, \mathbf{a}_{3}$ | = | $a x_{10} \,\mathbf{\hat{x}}- b y_{10} \,\mathbf{\hat{y}}+c z_{10} \,\mathbf{\hat{z}}$ | (16o) | C VIII |
| $\mathbf{B_{56}}$ | = | $\left(y_{10} + z_{10}\right) \, \mathbf{a}_{1}- \left(x_{10} - z_{10}\right) \, \mathbf{a}_{2}- \left(x_{10} - y_{10}\right) \, \mathbf{a}_{3}$ | = | $- a x_{10} \,\mathbf{\hat{x}}+b y_{10} \,\mathbf{\hat{y}}+c z_{10} \,\mathbf{\hat{z}}$ | (16o) | C VIII |
| $\mathbf{B_{57}}$ | = | $\left(y_{11} + z_{11}\right) \, \mathbf{a}_{1}+\left(x_{11} + z_{11}\right) \, \mathbf{a}_{2}+\left(x_{11} + y_{11}\right) \, \mathbf{a}_{3}$ | = | $a x_{11} \,\mathbf{\hat{x}}+b y_{11} \,\mathbf{\hat{y}}+c z_{11} \,\mathbf{\hat{z}}$ | (16o) | C IX |
| $\mathbf{B_{58}}$ | = | $- \left(y_{11} - z_{11}\right) \, \mathbf{a}_{1}- \left(x_{11} - z_{11}\right) \, \mathbf{a}_{2}- \left(x_{11} + y_{11}\right) \, \mathbf{a}_{3}$ | = | $- a x_{11} \,\mathbf{\hat{x}}- b y_{11} \,\mathbf{\hat{y}}+c z_{11} \,\mathbf{\hat{z}}$ | (16o) | C IX |
| $\mathbf{B_{59}}$ | = | $\left(y_{11} - z_{11}\right) \, \mathbf{a}_{1}- \left(x_{11} + z_{11}\right) \, \mathbf{a}_{2}- \left(x_{11} - y_{11}\right) \, \mathbf{a}_{3}$ | = | $- a x_{11} \,\mathbf{\hat{x}}+b y_{11} \,\mathbf{\hat{y}}- c z_{11} \,\mathbf{\hat{z}}$ | (16o) | C IX |
| $\mathbf{B_{60}}$ | = | $- \left(y_{11} + z_{11}\right) \, \mathbf{a}_{1}+\left(x_{11} - z_{11}\right) \, \mathbf{a}_{2}+\left(x_{11} - y_{11}\right) \, \mathbf{a}_{3}$ | = | $a x_{11} \,\mathbf{\hat{x}}- b y_{11} \,\mathbf{\hat{y}}- c z_{11} \,\mathbf{\hat{z}}$ | (16o) | C IX |
| $\mathbf{B_{61}}$ | = | $- \left(y_{11} + z_{11}\right) \, \mathbf{a}_{1}- \left(x_{11} + z_{11}\right) \, \mathbf{a}_{2}- \left(x_{11} + y_{11}\right) \, \mathbf{a}_{3}$ | = | $- a x_{11} \,\mathbf{\hat{x}}- b y_{11} \,\mathbf{\hat{y}}- c z_{11} \,\mathbf{\hat{z}}$ | (16o) | C IX |
| $\mathbf{B_{62}}$ | = | $\left(y_{11} - z_{11}\right) \, \mathbf{a}_{1}+\left(x_{11} - z_{11}\right) \, \mathbf{a}_{2}+\left(x_{11} + y_{11}\right) \, \mathbf{a}_{3}$ | = | $a x_{11} \,\mathbf{\hat{x}}+b y_{11} \,\mathbf{\hat{y}}- c z_{11} \,\mathbf{\hat{z}}$ | (16o) | C IX |
| $\mathbf{B_{63}}$ | = | $- \left(y_{11} - z_{11}\right) \, \mathbf{a}_{1}+\left(x_{11} + z_{11}\right) \, \mathbf{a}_{2}+\left(x_{11} - y_{11}\right) \, \mathbf{a}_{3}$ | = | $a x_{11} \,\mathbf{\hat{x}}- b y_{11} \,\mathbf{\hat{y}}+c z_{11} \,\mathbf{\hat{z}}$ | (16o) | C IX |
| $\mathbf{B_{64}}$ | = | $\left(y_{11} + z_{11}\right) \, \mathbf{a}_{1}- \left(x_{11} - z_{11}\right) \, \mathbf{a}_{2}- \left(x_{11} - y_{11}\right) \, \mathbf{a}_{3}$ | = | $- a x_{11} \,\mathbf{\hat{x}}+b y_{11} \,\mathbf{\hat{y}}+c z_{11} \,\mathbf{\hat{z}}$ | (16o) | C IX |
References
- Y. Yoshida, Y. Kubozono, S. Kashino, and Y. Murakami, Structure and electronic properties of Cs$_{3}$C$_{60}$ under ambient pressure revealed by X-ray diffraction and ESR, Chem. Phys. Lett. 291, 31–36 (1998), doi:10.1016/S0009-2614(98)00598-3.
Prototype Generator
aflow --proto=A15B_oI128_71_lmn6o_eg --params=$a,b/a,c/a,x_{1},y_{2},y_{3},z_{3},x_{4},z_{4},x_{5},y_{5},x_{6},y_{6},z_{6},x_{7},y_{7},z_{7},x_{8},y_{8},z_{8},x_{9},y_{9},z_{9},x_{10},y_{10},z_{10},x_{11},y_{11},z_{11}$