Cubic Lazarevićite (AsCu$_{3}$S$_{4}$) Structure: AB3C4_cP8_215_a_c_e-001
| Prototype | AsCu$_{3}$S$_{4}$ |
| AFLOW prototype label | AB3C4_cP8_215_a_c_e-001 |
| Mineral name | lazarevićite |
| ICSD | 42516 |
| Pearson symbol | cP8 |
| Space group number | 215 |
| Space group symbol | $P\overline{4}3m$ |
| AFLOW prototype command |
aflow --proto=AB3C4_cP8_215_a_c_e-001
--params=$a, \allowbreak x_{3}$ |
- This structure is very similar to sulvanite ($H2_{4}$), except that in this case the copper atoms are on the cubic faces [the (3c) sites] rather than the cubic edges [the (3d) sites]. The actual composition of the sample under study is Cu$_{3}$(As$_{0.65}$Cu$_{0.20}$Fe$_{0.13}$)S$_{4}$. We will ignore the alloying on the arsenic site here.
- (Sclar, 1960) set $x_{3} = 1/4$, but that is not required by symmetry and there is undoubtedly some relaxation.
- After much searching we finally obtained the original article for this structure from the Internet Archive. We thank them for making these documents available.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&a \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | As I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (3c) | Cu I |
| $\mathbf{B_{3}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (3c) | Cu I |
| $\mathbf{B_{4}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}$ | (3c) | Cu I |
| $\mathbf{B_{5}}$ | = | $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (4e) | S I |
| $\mathbf{B_{6}}$ | = | $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (4e) | S I |
| $\mathbf{B_{7}}$ | = | $- x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (4e) | S I |
| $\mathbf{B_{8}}$ | = | $x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (4e) | S I |
References
- C. B. Sclar and M. Drovenik, Lazarevićite, A New Cubic Copper-Arsenic Sulfied from Bor, Jugoslavia, Bull. Geo. Soc. Am. 71, 1970 (1960).
- M. Fleischer, New Mineral Names, Am. Mineral. 46, 464–468 (1961).
- P. Villars, K. Cenzual, J. Daams, R. Gladyshevskii, O. Shcherban, V. Dubenskyy, N. Melnichenko-Koblyuk, O. Pavlyuk, S. Stoiko, and L. Sysa, Structure Types. Part 2: Space Groups (218) P-43n - (195) P23 $\cdot$ Cu$_{3}$AsS$_{4}$ (2005), doi:10.1007/10920473_223. Springer-Verlag Berlin Heidelberg.
Found in
- P. Villars and L. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases (ASM International, Materials Park, OH, 1991), 2nd edn.
Prototype Generator
aflow --proto=AB3C4_cP8_215_a_c_e --params=$a,x_{3}$