Luzonite (Cu$_{3}$AsS$_{4}$) Structure: AB3C4_tI16_121_a_bd_i-001
| Prototype | AsCu$_{3}$S$_{4}$ |
| AFLOW prototype label | AB3C4_tI16_121_a_bd_i-001 |
| Mineral name | luzonite |
| ICSD | 26838 |
| CCDC | 1602217 |
| Pearson symbol | tI16 |
| Space group number | 121 |
| Space group symbol | $I\overline{4}2m$ |
| AFLOW prototype command |
aflow --proto=AB3C4_tI16_121_a_bd_i-001
--params=$a, \allowbreak c/a, \allowbreak x_{4}, \allowbreak z_{4}$ |
Other compounds with this structure
Ag$_{3}$VO$_{4}$, Cu$_{3}$SbS$_{4}$, Cu$_{3}$SbSe$_{4}$, Cu$_{3}$AsSe$_{4}$, Cu$_{3}$FeS$_{4}$, Cu$_{3}$VO$_{4}$, Si$_{3}$NiP$_{4}$
- The sample studied by (Marumo, 1967) had composition Cu$_{3}$[As$_{0.685}$Sb$_{0.315}$]S$_{4}$.
- Cu$_{3}$AsS$_{4}$ can also be found as orthorhombic enargite ($H2_{5}$).
- this is the ternary form of stannite (Cu$_{2}$FeS$_{4}$Sn), $H2_{6}$).
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | As I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}c \,\mathbf{\hat{z}}$ | (2b) | Cu I |
| $\mathbf{B_{3}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (4d) | Cu II |
| $\mathbf{B_{4}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (4d) | Cu II |
| $\mathbf{B_{5}}$ | = | $\left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}+2 x_{4} \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (8i) | S I |
| $\mathbf{B_{6}}$ | = | $- \left(x_{4} - z_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} - z_{4}\right) \, \mathbf{a}_{2}- 2 x_{4} \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (8i) | S I |
| $\mathbf{B_{7}}$ | = | $- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} - z_{4}\right) \, \mathbf{a}_{2}$ | = | $a x_{4} \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ | (8i) | S I |
| $\mathbf{B_{8}}$ | = | $\left(x_{4} - z_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}$ | = | $- a x_{4} \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ | (8i) | S I |
References
- F. Marumo and W. Nowacki, A refinement of the crystal structure of luzonite, Cu$_{3}$AsS$_{4}$, Z. Kristallogr. 124, 1–8 (1967), doi:10.1524/zkri.1967.124.16.1.
Found in
- R. T. Downs and M. Hall-Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).
First cited in
- 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, Comp. Mat. Sci. 240, 112988 (2024). (doi=10.1016/j.commatsci.2021.110450)
Geometry files
Prototype Generator
aflow --proto=AB3C4_tI16_121_a_bd_i --params=$a,c/a,x_{4},z_{4}$