YCrB$_{4}$ Structure: A4BC_oP24_55_4g_h_h-001
| Prototype | B$_{4}$CrY |
| AFLOW prototype label | A4BC_oP24_55_4g_h_h-001 |
| ICSD | 101057 |
| CCDC | 2134769 |
| Pearson symbol | oP24 |
| Space group number | 55 |
| Space group symbol | $Pbam$ |
| AFLOW prototype command |
aflow --proto=A4BC_oP24_55_4g_h_h-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak x_{1}, \allowbreak y_{1}, \allowbreak x_{2}, \allowbreak y_{2}, \allowbreak x_{3}, \allowbreak y_{3}, \allowbreak x_{4}, \allowbreak y_{4}, \allowbreak x_{5}, \allowbreak y_{5}, \allowbreak x_{6}, \allowbreak y_{6}$ |
Other compounds with this structure
AlLuB$_{4}$, CeCrB$_{4}$, CeReB$_{4}$, CoYbB$_{4}$, DyCrB$_{4}$, DyFeB$_{4}$, DyMnB$_{4}$, DyMoB$_{4}$, DyOsB$_{4}$, DyReB$_{4}$, DyRuB$_{4}$, DyVB$_{4}$, DyWB$_{4}$, ErCrB$_{4}$, ErFeB$_{4}$, ErMnB$_{4}$, ErMoB$_{4}$, ErNiB$_{4}$, ErOsB$_{4}$, ErReB$_{4}$, ErRhB$_{4}$, ErRuB$_{4}$, ErVB$_{4}$, ErWB$_{4}$, EuRuB$_{4}$, GdCoB$_{4}$, GdCrB$_{4}$, GdFeB$_{4}$, GdMnB$_{4}$, GdMoB$_{4}$, GdOsB$_{4}$, GdReB$_{4}$, GdRuB$_{4}$, GdVB$_{4}$, GdWB$_{4}$, HoCrB$_{4}$, HoMnB$_{4}$, HoMoB$_{4}$, HoOsB$_{4}$, HoReB$_{4}$, HoRuB$_{4}$, HoVB$_{4}$, HoWB$_{4}$, LuAlB$_{4}$, LuCrB$_{4}$, LuFeB$_{4}$, LuNiB$_{4}$, LuOsB$_{4}$, LuRuB$_{4}$, NdCrB$_{4}$, NdMnB$_{4}$, PrCrB$_{4}$, PrMnB$_{4}$, PuMoB$_{4}$, PuOsB$_{4}$, RePuB$_{4}$, RuPuB$_{4}$, ScCoB$_{4}$, ScFeB$_{4}$, ScNiB$_{4}$, SmCrB$_{4}$, SmFeB$_{4}$, SmMnB$_{4}$, TbCrB$_{4}$, TbMnB$_{4}$, TbMoB$_{4}$, TbOsB$_{4}$, TbReB$_{4}$, TbRuB$_{4}$, TbVB$_{4}$, TbWB$_{4}$, TcPuB$_{4}$, ThCrB$_{4}$, TmAlB$_{4}$, TmCrB$_{4}$, TmNiB$_{4}$, TmOsB$_{4}$, TmRhB$_{4}$, TmRuB$_{4}$, UCoB$_{4}$, UCrB$_{4}$, UFeB$_{4}$, UMnB$_{4}$, UVB$_{4}$, WPuB$_{4}$, YCoB$_{4}$, YCrB$_{4}$, YFeB$_{4}$, YMnB$_{4}$, YMoB$_{4}$, YOsB$_{4}$, YReB$_{4}$, YRhB$_{4}$, YRuB$_{4}$, YVB$_{4}$, YWB$_{4}$, YbAlB$_{4}$, YbCoB$_{4}$, YbFeB$_{4}$, YbNiB$_{4}$, YbOsB$_{4}$, YbRhB$_{4}$
- The AFLOW prototype label protocol shifts the origin so that the boron atoms are in the $z = 0$ plane.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&b \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $x_{1} \, \mathbf{a}_{1}+y_{1} \, \mathbf{a}_{2}$ | = | $a x_{1} \,\mathbf{\hat{x}}+b y_{1} \,\mathbf{\hat{y}}$ | (4g) | B I |
| $\mathbf{B_{2}}$ | = | $- x_{1} \, \mathbf{a}_{1}- y_{1} \, \mathbf{a}_{2}$ | = | $- a x_{1} \,\mathbf{\hat{x}}- b y_{1} \,\mathbf{\hat{y}}$ | (4g) | B I |
| $\mathbf{B_{3}}$ | = | $- \left(x_{1} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{1} + \frac{1}{2}\right) \, \mathbf{a}_{2}$ | = | $- a \left(x_{1} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+b \left(y_{1} + \frac{1}{2}\right) \,\mathbf{\hat{y}}$ | (4g) | B I |
| $\mathbf{B_{4}}$ | = | $\left(x_{1} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{1} - \frac{1}{2}\right) \, \mathbf{a}_{2}$ | = | $a \left(x_{1} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- b \left(y_{1} - \frac{1}{2}\right) \,\mathbf{\hat{y}}$ | (4g) | B I |
| $\mathbf{B_{5}}$ | = | $x_{2} \, \mathbf{a}_{1}+y_{2} \, \mathbf{a}_{2}$ | = | $a x_{2} \,\mathbf{\hat{x}}+b y_{2} \,\mathbf{\hat{y}}$ | (4g) | B II |
| $\mathbf{B_{6}}$ | = | $- x_{2} \, \mathbf{a}_{1}- y_{2} \, \mathbf{a}_{2}$ | = | $- a x_{2} \,\mathbf{\hat{x}}- b y_{2} \,\mathbf{\hat{y}}$ | (4g) | B II |
| $\mathbf{B_{7}}$ | = | $- \left(x_{2} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}$ | = | $- a \left(x_{2} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+b \left(y_{2} + \frac{1}{2}\right) \,\mathbf{\hat{y}}$ | (4g) | B II |
| $\mathbf{B_{8}}$ | = | $\left(x_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{2} - \frac{1}{2}\right) \, \mathbf{a}_{2}$ | = | $a \left(x_{2} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- b \left(y_{2} - \frac{1}{2}\right) \,\mathbf{\hat{y}}$ | (4g) | B II |
| $\mathbf{B_{9}}$ | = | $x_{3} \, \mathbf{a}_{1}+y_{3} \, \mathbf{a}_{2}$ | = | $a x_{3} \,\mathbf{\hat{x}}+b y_{3} \,\mathbf{\hat{y}}$ | (4g) | B III |
| $\mathbf{B_{10}}$ | = | $- x_{3} \, \mathbf{a}_{1}- y_{3} \, \mathbf{a}_{2}$ | = | $- a x_{3} \,\mathbf{\hat{x}}- b y_{3} \,\mathbf{\hat{y}}$ | (4g) | B III |
| $\mathbf{B_{11}}$ | = | $- \left(x_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}$ | = | $- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+b \left(y_{3} + \frac{1}{2}\right) \,\mathbf{\hat{y}}$ | (4g) | B III |
| $\mathbf{B_{12}}$ | = | $\left(x_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}$ | = | $a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- b \left(y_{3} - \frac{1}{2}\right) \,\mathbf{\hat{y}}$ | (4g) | B III |
| $\mathbf{B_{13}}$ | = | $x_{4} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{2}$ | = | $a x_{4} \,\mathbf{\hat{x}}+b y_{4} \,\mathbf{\hat{y}}$ | (4g) | B IV |
| $\mathbf{B_{14}}$ | = | $- x_{4} \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{2}$ | = | $- a x_{4} \,\mathbf{\hat{x}}- b y_{4} \,\mathbf{\hat{y}}$ | (4g) | B IV |
| $\mathbf{B_{15}}$ | = | $- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}$ | = | $- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+b \left(y_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}$ | (4g) | B IV |
| $\mathbf{B_{16}}$ | = | $\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}$ | = | $a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- b \left(y_{4} - \frac{1}{2}\right) \,\mathbf{\hat{y}}$ | (4g) | B IV |
| $\mathbf{B_{17}}$ | = | $x_{5} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}+b y_{5} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (4h) | Cr I |
| $\mathbf{B_{18}}$ | = | $- x_{5} \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}- b y_{5} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (4h) | Cr I |
| $\mathbf{B_{19}}$ | = | $- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+b \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (4h) | Cr I |
| $\mathbf{B_{20}}$ | = | $\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- b \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (4h) | Cr I |
| $\mathbf{B_{21}}$ | = | $x_{6} \, \mathbf{a}_{1}+y_{6} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $a x_{6} \,\mathbf{\hat{x}}+b y_{6} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (4h) | Y I |
| $\mathbf{B_{22}}$ | = | $- x_{6} \, \mathbf{a}_{1}- y_{6} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- a x_{6} \,\mathbf{\hat{x}}- b y_{6} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (4h) | Y I |
| $\mathbf{B_{23}}$ | = | $- \left(x_{6} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{6} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- a \left(x_{6} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+b \left(y_{6} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (4h) | Y I |
| $\mathbf{B_{24}}$ | = | $\left(x_{6} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{6} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $a \left(x_{6} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- b \left(y_{6} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (4h) | Y I |
References
- Y. B. Kuz'ma, Crystal Structure of the Compound YCrB$_{4}$ and its Analogs, Soviet Phys. – Crystallogr. 15, 312–314 (1970).
Found in
- P. Rogl, New ternary borides with YCrB$_{4}$-type structure, Mater. Res. Bull. 13, 519–523 (1978), doi:10.1016/0025-5408(78)90160-5.
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=A4BC_oP24_55_4g_h_h --params=$a,b/a,c/a,x_{1},y_{1},x_{2},y_{2},x_{3},y_{3},x_{4},y_{4},x_{5},y_{5},x_{6},y_{6}$