SmNiGe$_{3}$ Structure: A3BC_oC20_65_2gh_g_h-001
| Prototype | Ge$_{3}$NiSm |
| AFLOW prototype label | A3BC_oC20_65_2gh_g_h-001 |
| ICSD | 160309 |
| CCDC | 1676727 |
| Pearson symbol | oC20 |
| Space group number | 65 |
| Space group symbol | $Cmmm$ |
| AFLOW prototype command |
aflow --proto=A3BC_oC20_65_2gh_g_h-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak x_{1}, \allowbreak x_{2}, \allowbreak x_{3}, \allowbreak x_{4}, \allowbreak x_{5}$ |
Other compounds with this structure
CeNiGe$_{3}$, DyNiGe$_{3}$, DyNiSi$_{3}$, ErNiGe$_{3}$, ErNiSi$_{3}$, GdNiGe$_{3}$, HoNiGe$_{3}$, HoNiSi$_{3}$, LuNiGe$_{3}$, NdNiGe$_{3}$, PrNiGe$_{3}$, SmNiGe$_{3}$, TbNiGe$_{3}$, TmNiGe$_{3}$, YNiGe$_{3}$, YbNiGe$_{3}$, YbNiSi$_{3}$
- (Mun, 2010) give the structure with the long axis of the unit cell along the c-axis. AFLOW rotates this so that it points along the x-axis.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $x_{1} \, \mathbf{a}_{1}+x_{1} \, \mathbf{a}_{2}$ | = | $a x_{1} \,\mathbf{\hat{x}}$ | (4g) | Ge I |
| $\mathbf{B_{2}}$ | = | $- x_{1} \, \mathbf{a}_{1}- x_{1} \, \mathbf{a}_{2}$ | = | $- a x_{1} \,\mathbf{\hat{x}}$ | (4g) | Ge I |
| $\mathbf{B_{3}}$ | = | $x_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}$ | = | $a x_{2} \,\mathbf{\hat{x}}$ | (4g) | Ge II |
| $\mathbf{B_{4}}$ | = | $- x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}$ | = | $- a x_{2} \,\mathbf{\hat{x}}$ | (4g) | Ge II |
| $\mathbf{B_{5}}$ | = | $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}$ | = | $a x_{3} \,\mathbf{\hat{x}}$ | (4g) | Ni I |
| $\mathbf{B_{6}}$ | = | $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}$ | = | $- a x_{3} \,\mathbf{\hat{x}}$ | (4g) | Ni I |
| $\mathbf{B_{7}}$ | = | $x_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (4h) | Ge III |
| $\mathbf{B_{8}}$ | = | $- x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (4h) | Ge III |
| $\mathbf{B_{9}}$ | = | $x_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (4h) | Sm I |
| $\mathbf{B_{10}}$ | = | $- x_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (4h) | Sm I |
References
- E. D. Mun, S. L. Bud'ko, H. Ko, G. J. Miller, and P. C. Canfield, Physical properties and anisotropies of the RNiGe$_{3}$ series (R = Y, Ce-Nd, Sm, Gd-Lu), J. Magn. Magn. Mater. 322, 3527–3543 (2010), doi:10.1016/j.jmmm.2010.06.057.
Found in
- P. Salamakha, M. Konyk, O. Sologub, and O. Bodak, Ce-Ni-Ge and Nd-Ni-Ge phase diagrams: systematics of rare earth-nickel-germanium compounds, J. Alloys Compd. 236, 206–211 (1996), doi:10.1016/0925-8388(95)02081-0.
First cited in
- N. Anderson, M. J. Mehl, H. Eckert, S. Divilov, X. Campilongo, S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 5. Submitted to Computational Materials Science (2026).
Geometry files
Prototype Generator
aflow --proto=A3BC_oC20_65_2gh_g_h --params=$a,b/a,c/a,x_{1},x_{2},x_{3},x_{4},x_{5}$