Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: AB_mC16_12_aci_2i-001

If you are using this page, please cite:
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. Submitted to Computational Materials Science.

Links to this page

https://aflow.org/p/7BKU
or https://aflow.org/p/AB_mC16_12_aci_2i-001
or PDF Version

CoGe Structure: AB_mC16_12_aci_2i-001

Picture of Structure; Click for Big Picture
Prototype CoGe
AFLOW prototype label AB_mC16_12_aci_2i-001
ICSD 43677
Pearson symbol mC16
Space group number 12
Space group symbol $C2/m$
AFLOW prototype command aflow --proto=AB_mC16_12_aci_2i-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak \beta, \allowbreak x_{3}, \allowbreak z_{3}, \allowbreak x_{4}, \allowbreak z_{4}, \allowbreak x_{5}, \allowbreak z_{5}$

Other compounds with this structure

FeGe (HT)


\[ \begin{array}{ccc} \mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \cos{\beta} \,\mathbf{\hat{x}}+c \sin{\beta} \,\mathbf{\hat{z}} \end{array}\]

Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
$\mathbf{B_{1}}$ = $0$ = $0$ (2a) Co I
$\mathbf{B_{2}}$ = $\frac{1}{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}c \cos{\beta} \,\mathbf{\hat{x}}+\frac{1}{2}c \sin{\beta} \,\mathbf{\hat{z}}$ (2c) Co II
$\mathbf{B_{3}}$ = $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ = $\left(a x_{3} + c z_{3} \cos{\beta}\right) \,\mathbf{\hat{x}}+c z_{3} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Co III
$\mathbf{B_{4}}$ = $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ = $- \left(a x_{3} + c z_{3} \cos{\beta}\right) \,\mathbf{\hat{x}}- c z_{3} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Co III
$\mathbf{B_{5}}$ = $x_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ = $\left(a x_{4} + c z_{4} \cos{\beta}\right) \,\mathbf{\hat{x}}+c z_{4} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Ge I
$\mathbf{B_{6}}$ = $- x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ = $- \left(a x_{4} + c z_{4} \cos{\beta}\right) \,\mathbf{\hat{x}}- c z_{4} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Ge I
$\mathbf{B_{7}}$ = $x_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ = $\left(a x_{5} + c z_{5} \cos{\beta}\right) \,\mathbf{\hat{x}}+c z_{5} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Ge II
$\mathbf{B_{8}}$ = $- x_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ = $- \left(a x_{5} + c z_{5} \cos{\beta}\right) \,\mathbf{\hat{x}}- c z_{5} \sin{\beta} \,\mathbf{\hat{z}}$ (4i) Ge II

References

  • S. Bhan and K. Schubert, Zum Aufbau der Systeme Kobalt-Germanium, Rhodium-Silizium sowie einiger verwandter Legierungen, Z. Metallkd. 51, 327–339 (1960), doi:10.1515/ijmr-1960-510604.

Prototype Generator

aflow --proto=AB_mC16_12_aci_2i --params=$a,b/a,c/a,\beta,x_{3},z_{3},x_{4},z_{4},x_{5},z_{5}$

Species:

Running:

Output: