Smithite (AgAsS$_{2}$) Structure: ABC2_mC96_15_2e2f_3f_6f-001
| Prototype | AgAsS$_{2}$ |
| AFLOW prototype label | ABC2_mC96_15_2e2f_3f_6f-001 |
| Mineral name | smithite |
| ICSD | 64984 |
| Pearson symbol | mC96 |
| Space group number | 15 |
| Space group symbol | $C2/c$ |
| AFLOW prototype command |
aflow --proto=ABC2_mC96_15_2e2f_3f_6f-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak \beta, \allowbreak y_{1}, \allowbreak y_{2}, \allowbreak x_{3}, \allowbreak y_{3}, \allowbreak z_{3}, \allowbreak x_{4}, \allowbreak y_{4}, \allowbreak z_{4}, \allowbreak x_{5}, \allowbreak y_{5}, \allowbreak z_{5}, \allowbreak x_{6}, \allowbreak y_{6}, \allowbreak z_{6}, \allowbreak x_{7}, \allowbreak y_{7}, \allowbreak z_{7}, \allowbreak x_{8}, \allowbreak y_{8}, \allowbreak z_{8}, \allowbreak x_{9}, \allowbreak y_{9}, \allowbreak z_{9}, \allowbreak x_{10}, \allowbreak y_{10}, \allowbreak z_{10}, \allowbreak x_{11}, \allowbreak y_{11}, \allowbreak z_{11}, \allowbreak x_{12}, \allowbreak y_{12}, \allowbreak z_{12}, \allowbreak x_{13}, \allowbreak y_{13}, \allowbreak z_{13}$ |
- AgAsS$_{2}$ also occurs as rhombohedral trechmannite.
- (Hellner, 1964) gives the structural information in the $A2/a$ setting of space group #15. We used FINDSYM to transform this to the standard $C2/c$ setting.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \cos{\beta} \,\mathbf{\hat{x}}+c \sin{\beta} \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $- y_{1} \, \mathbf{a}_{1}+y_{1} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}c \cos{\beta} \,\mathbf{\hat{x}}+b y_{1} \,\mathbf{\hat{y}}+\frac{1}{4}c \sin{\beta} \,\mathbf{\hat{z}}$ | (4e) | Ag I |
| $\mathbf{B_{2}}$ | = | $y_{1} \, \mathbf{a}_{1}- y_{1} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}c \cos{\beta} \,\mathbf{\hat{x}}- b y_{1} \,\mathbf{\hat{y}}+\frac{3}{4}c \sin{\beta} \,\mathbf{\hat{z}}$ | (4e) | Ag I |
| $\mathbf{B_{3}}$ | = | $- y_{2} \, \mathbf{a}_{1}+y_{2} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}c \cos{\beta} \,\mathbf{\hat{x}}+b y_{2} \,\mathbf{\hat{y}}+\frac{1}{4}c \sin{\beta} \,\mathbf{\hat{z}}$ | (4e) | Ag II |
| $\mathbf{B_{4}}$ | = | $y_{2} \, \mathbf{a}_{1}- y_{2} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}c \cos{\beta} \,\mathbf{\hat{x}}- b y_{2} \,\mathbf{\hat{y}}+\frac{3}{4}c \sin{\beta} \,\mathbf{\hat{z}}$ | (4e) | Ag II |
| $\mathbf{B_{5}}$ | = | $\left(x_{3} - y_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} + y_{3}\right) \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $\left(a x_{3} + c z_{3} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{3} \,\mathbf{\hat{y}}+c z_{3} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Ag III |
| $\mathbf{B_{6}}$ | = | $- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{1}- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{2}- \left(z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{3} + c \left(z_{3} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{3} \,\mathbf{\hat{y}}- c \left(z_{3} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Ag III |
| $\mathbf{B_{7}}$ | = | $- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{1}- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ | = | $- \left(a x_{3} + c z_{3} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{3} \,\mathbf{\hat{y}}- c z_{3} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Ag III |
| $\mathbf{B_{8}}$ | = | $\left(x_{3} + y_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} - y_{3}\right) \, \mathbf{a}_{2}+\left(z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{3} + c \left(z_{3} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{3} \,\mathbf{\hat{y}}+c \left(z_{3} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Ag III |
| $\mathbf{B_{9}}$ | = | $\left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} + y_{4}\right) \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\left(a x_{4} + c z_{4} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{4} \,\mathbf{\hat{y}}+c z_{4} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Ag IV |
| $\mathbf{B_{10}}$ | = | $- \left(x_{4} + y_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}- \left(z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{4} + c \left(z_{4} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{4} \,\mathbf{\hat{y}}- c \left(z_{4} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Ag IV |
| $\mathbf{B_{11}}$ | = | $- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + y_{4}\right) \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ | = | $- \left(a x_{4} + c z_{4} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{4} \,\mathbf{\hat{y}}- c z_{4} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Ag IV |
| $\mathbf{B_{12}}$ | = | $\left(x_{4} + y_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}+\left(z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{4} + c \left(z_{4} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{4} \,\mathbf{\hat{y}}+c \left(z_{4} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Ag IV |
| $\mathbf{B_{13}}$ | = | $\left(x_{5} - y_{5}\right) \, \mathbf{a}_{1}+\left(x_{5} + y_{5}\right) \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $\left(a x_{5} + c z_{5} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{5} \,\mathbf{\hat{y}}+c z_{5} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | As I |
| $\mathbf{B_{14}}$ | = | $- \left(x_{5} + y_{5}\right) \, \mathbf{a}_{1}- \left(x_{5} - y_{5}\right) \, \mathbf{a}_{2}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{5} + c \left(z_{5} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{5} \,\mathbf{\hat{y}}- c \left(z_{5} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | As I |
| $\mathbf{B_{15}}$ | = | $- \left(x_{5} - y_{5}\right) \, \mathbf{a}_{1}- \left(x_{5} + y_{5}\right) \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $- \left(a x_{5} + c z_{5} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{5} \,\mathbf{\hat{y}}- c z_{5} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | As I |
| $\mathbf{B_{16}}$ | = | $\left(x_{5} + y_{5}\right) \, \mathbf{a}_{1}+\left(x_{5} - y_{5}\right) \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{5} + c \left(z_{5} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{5} \,\mathbf{\hat{y}}+c \left(z_{5} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | As I |
| $\mathbf{B_{17}}$ | = | $\left(x_{6} - y_{6}\right) \, \mathbf{a}_{1}+\left(x_{6} + y_{6}\right) \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $\left(a x_{6} + c z_{6} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{6} \,\mathbf{\hat{y}}+c z_{6} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | As II |
| $\mathbf{B_{18}}$ | = | $- \left(x_{6} + y_{6}\right) \, \mathbf{a}_{1}- \left(x_{6} - y_{6}\right) \, \mathbf{a}_{2}- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{6} + c \left(z_{6} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{6} \,\mathbf{\hat{y}}- c \left(z_{6} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | As II |
| $\mathbf{B_{19}}$ | = | $- \left(x_{6} - y_{6}\right) \, \mathbf{a}_{1}- \left(x_{6} + y_{6}\right) \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ | = | $- \left(a x_{6} + c z_{6} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{6} \,\mathbf{\hat{y}}- c z_{6} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | As II |
| $\mathbf{B_{20}}$ | = | $\left(x_{6} + y_{6}\right) \, \mathbf{a}_{1}+\left(x_{6} - y_{6}\right) \, \mathbf{a}_{2}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{6} + c \left(z_{6} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{6} \,\mathbf{\hat{y}}+c \left(z_{6} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | As II |
| $\mathbf{B_{21}}$ | = | $\left(x_{7} - y_{7}\right) \, \mathbf{a}_{1}+\left(x_{7} + y_{7}\right) \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ | = | $\left(a x_{7} + c z_{7} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{7} \,\mathbf{\hat{y}}+c z_{7} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | As III |
| $\mathbf{B_{22}}$ | = | $- \left(x_{7} + y_{7}\right) \, \mathbf{a}_{1}- \left(x_{7} - y_{7}\right) \, \mathbf{a}_{2}- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{7} + c \left(z_{7} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{7} \,\mathbf{\hat{y}}- c \left(z_{7} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | As III |
| $\mathbf{B_{23}}$ | = | $- \left(x_{7} - y_{7}\right) \, \mathbf{a}_{1}- \left(x_{7} + y_{7}\right) \, \mathbf{a}_{2}- z_{7} \, \mathbf{a}_{3}$ | = | $- \left(a x_{7} + c z_{7} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{7} \,\mathbf{\hat{y}}- c z_{7} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | As III |
| $\mathbf{B_{24}}$ | = | $\left(x_{7} + y_{7}\right) \, \mathbf{a}_{1}+\left(x_{7} - y_{7}\right) \, \mathbf{a}_{2}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{7} + c \left(z_{7} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{7} \,\mathbf{\hat{y}}+c \left(z_{7} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | As III |
| $\mathbf{B_{25}}$ | = | $\left(x_{8} - y_{8}\right) \, \mathbf{a}_{1}+\left(x_{8} + y_{8}\right) \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ | = | $\left(a x_{8} + c z_{8} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{8} \,\mathbf{\hat{y}}+c z_{8} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S I |
| $\mathbf{B_{26}}$ | = | $- \left(x_{8} + y_{8}\right) \, \mathbf{a}_{1}- \left(x_{8} - y_{8}\right) \, \mathbf{a}_{2}- \left(z_{8} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{8} + c \left(z_{8} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{8} \,\mathbf{\hat{y}}- c \left(z_{8} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S I |
| $\mathbf{B_{27}}$ | = | $- \left(x_{8} - y_{8}\right) \, \mathbf{a}_{1}- \left(x_{8} + y_{8}\right) \, \mathbf{a}_{2}- z_{8} \, \mathbf{a}_{3}$ | = | $- \left(a x_{8} + c z_{8} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{8} \,\mathbf{\hat{y}}- c z_{8} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S I |
| $\mathbf{B_{28}}$ | = | $\left(x_{8} + y_{8}\right) \, \mathbf{a}_{1}+\left(x_{8} - y_{8}\right) \, \mathbf{a}_{2}+\left(z_{8} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{8} + c \left(z_{8} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{8} \,\mathbf{\hat{y}}+c \left(z_{8} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S I |
| $\mathbf{B_{29}}$ | = | $\left(x_{9} - y_{9}\right) \, \mathbf{a}_{1}+\left(x_{9} + y_{9}\right) \, \mathbf{a}_{2}+z_{9} \, \mathbf{a}_{3}$ | = | $\left(a x_{9} + c z_{9} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{9} \,\mathbf{\hat{y}}+c z_{9} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S II |
| $\mathbf{B_{30}}$ | = | $- \left(x_{9} + y_{9}\right) \, \mathbf{a}_{1}- \left(x_{9} - y_{9}\right) \, \mathbf{a}_{2}- \left(z_{9} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{9} + c \left(z_{9} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{9} \,\mathbf{\hat{y}}- c \left(z_{9} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S II |
| $\mathbf{B_{31}}$ | = | $- \left(x_{9} - y_{9}\right) \, \mathbf{a}_{1}- \left(x_{9} + y_{9}\right) \, \mathbf{a}_{2}- z_{9} \, \mathbf{a}_{3}$ | = | $- \left(a x_{9} + c z_{9} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{9} \,\mathbf{\hat{y}}- c z_{9} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S II |
| $\mathbf{B_{32}}$ | = | $\left(x_{9} + y_{9}\right) \, \mathbf{a}_{1}+\left(x_{9} - y_{9}\right) \, \mathbf{a}_{2}+\left(z_{9} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{9} + c \left(z_{9} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{9} \,\mathbf{\hat{y}}+c \left(z_{9} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S II |
| $\mathbf{B_{33}}$ | = | $\left(x_{10} - y_{10}\right) \, \mathbf{a}_{1}+\left(x_{10} + y_{10}\right) \, \mathbf{a}_{2}+z_{10} \, \mathbf{a}_{3}$ | = | $\left(a x_{10} + c z_{10} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{10} \,\mathbf{\hat{y}}+c z_{10} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S III |
| $\mathbf{B_{34}}$ | = | $- \left(x_{10} + y_{10}\right) \, \mathbf{a}_{1}- \left(x_{10} - y_{10}\right) \, \mathbf{a}_{2}- \left(z_{10} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{10} + c \left(z_{10} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{10} \,\mathbf{\hat{y}}- c \left(z_{10} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S III |
| $\mathbf{B_{35}}$ | = | $- \left(x_{10} - y_{10}\right) \, \mathbf{a}_{1}- \left(x_{10} + y_{10}\right) \, \mathbf{a}_{2}- z_{10} \, \mathbf{a}_{3}$ | = | $- \left(a x_{10} + c z_{10} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{10} \,\mathbf{\hat{y}}- c z_{10} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S III |
| $\mathbf{B_{36}}$ | = | $\left(x_{10} + y_{10}\right) \, \mathbf{a}_{1}+\left(x_{10} - y_{10}\right) \, \mathbf{a}_{2}+\left(z_{10} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{10} + c \left(z_{10} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{10} \,\mathbf{\hat{y}}+c \left(z_{10} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S III |
| $\mathbf{B_{37}}$ | = | $\left(x_{11} - y_{11}\right) \, \mathbf{a}_{1}+\left(x_{11} + y_{11}\right) \, \mathbf{a}_{2}+z_{11} \, \mathbf{a}_{3}$ | = | $\left(a x_{11} + c z_{11} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{11} \,\mathbf{\hat{y}}+c z_{11} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S IV |
| $\mathbf{B_{38}}$ | = | $- \left(x_{11} + y_{11}\right) \, \mathbf{a}_{1}- \left(x_{11} - y_{11}\right) \, \mathbf{a}_{2}- \left(z_{11} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{11} + c \left(z_{11} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{11} \,\mathbf{\hat{y}}- c \left(z_{11} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S IV |
| $\mathbf{B_{39}}$ | = | $- \left(x_{11} - y_{11}\right) \, \mathbf{a}_{1}- \left(x_{11} + y_{11}\right) \, \mathbf{a}_{2}- z_{11} \, \mathbf{a}_{3}$ | = | $- \left(a x_{11} + c z_{11} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{11} \,\mathbf{\hat{y}}- c z_{11} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S IV |
| $\mathbf{B_{40}}$ | = | $\left(x_{11} + y_{11}\right) \, \mathbf{a}_{1}+\left(x_{11} - y_{11}\right) \, \mathbf{a}_{2}+\left(z_{11} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{11} + c \left(z_{11} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{11} \,\mathbf{\hat{y}}+c \left(z_{11} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S IV |
| $\mathbf{B_{41}}$ | = | $\left(x_{12} - y_{12}\right) \, \mathbf{a}_{1}+\left(x_{12} + y_{12}\right) \, \mathbf{a}_{2}+z_{12} \, \mathbf{a}_{3}$ | = | $\left(a x_{12} + c z_{12} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{12} \,\mathbf{\hat{y}}+c z_{12} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S V |
| $\mathbf{B_{42}}$ | = | $- \left(x_{12} + y_{12}\right) \, \mathbf{a}_{1}- \left(x_{12} - y_{12}\right) \, \mathbf{a}_{2}- \left(z_{12} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{12} + c \left(z_{12} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{12} \,\mathbf{\hat{y}}- c \left(z_{12} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S V |
| $\mathbf{B_{43}}$ | = | $- \left(x_{12} - y_{12}\right) \, \mathbf{a}_{1}- \left(x_{12} + y_{12}\right) \, \mathbf{a}_{2}- z_{12} \, \mathbf{a}_{3}$ | = | $- \left(a x_{12} + c z_{12} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{12} \,\mathbf{\hat{y}}- c z_{12} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S V |
| $\mathbf{B_{44}}$ | = | $\left(x_{12} + y_{12}\right) \, \mathbf{a}_{1}+\left(x_{12} - y_{12}\right) \, \mathbf{a}_{2}+\left(z_{12} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{12} + c \left(z_{12} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{12} \,\mathbf{\hat{y}}+c \left(z_{12} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S V |
| $\mathbf{B_{45}}$ | = | $\left(x_{13} - y_{13}\right) \, \mathbf{a}_{1}+\left(x_{13} + y_{13}\right) \, \mathbf{a}_{2}+z_{13} \, \mathbf{a}_{3}$ | = | $\left(a x_{13} + c z_{13} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{13} \,\mathbf{\hat{y}}+c z_{13} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S VI |
| $\mathbf{B_{46}}$ | = | $- \left(x_{13} + y_{13}\right) \, \mathbf{a}_{1}- \left(x_{13} - y_{13}\right) \, \mathbf{a}_{2}- \left(z_{13} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{13} + c \left(z_{13} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{13} \,\mathbf{\hat{y}}- c \left(z_{13} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S VI |
| $\mathbf{B_{47}}$ | = | $- \left(x_{13} - y_{13}\right) \, \mathbf{a}_{1}- \left(x_{13} + y_{13}\right) \, \mathbf{a}_{2}- z_{13} \, \mathbf{a}_{3}$ | = | $- \left(a x_{13} + c z_{13} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{13} \,\mathbf{\hat{y}}- c z_{13} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S VI |
| $\mathbf{B_{48}}$ | = | $\left(x_{13} + y_{13}\right) \, \mathbf{a}_{1}+\left(x_{13} - y_{13}\right) \, \mathbf{a}_{2}+\left(z_{13} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{13} + c \left(z_{13} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{13} \,\mathbf{\hat{y}}+c \left(z_{13} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | S VI |
References
- E. Hellner and H. Burzlaff, Die Struktur des Smithits AgAsS$_{2}$, Naturwissenschaften 51, 35–36 (1964), doi:10.1007/BF00622577.
Found in
- S. Kharbish, Spectral-structural characteristics of the extremely scarce silver arsenic sulfosalts, proustite, smithite, trechmannite and xanthoconite: $\mu$-Raman spectroscopy evidence, Spectrochim. Acta A Mol. Biomol. Spectrosc. 177, 104–110 (2017), doi:10.1016/j.saa.2017.01.038.
Prototype Generator
aflow --proto=ABC2_mC96_15_2e2f_3f_6f --params=$a,b/a,c/a,\beta,y_{1},y_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6},x_{7},y_{7},z_{7},x_{8},y_{8},z_{8},x_{9},y_{9},z_{9},x_{10},y_{10},z_{10},x_{11},y_{11},z_{11},x_{12},y_{12},z_{12},x_{13},y_{13},z_{13}$