Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: A2BC_oC8_38_d_b_a-001

This structure originally had the label A2BC_oC8_38_e_a_b. Calls to that address will be redirected here.

If you are using this page, please cite:
M. J. Mehl, D. Hicks, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 1, Comp. Mat. Sci. 136, S1-S828 (2017). (doi=10.1016/j.commatsci.2017.01.017)

Links to this page

https://aflow.org/p/37DH
or https://aflow.org/p/A2BC_oC8_38_d_b_a-001
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C$_{2}$CeNi Structure: A2BC_oC8_38_d_b_a-001

Picture of Structure; Click for Big Picture
Prototype C$_{2}$CeNi
AFLOW prototype label A2BC_oC8_38_d_b_a-001
ICSD 20397
Pearson symbol oC8
Space group number 38
Space group symbol $Amm2$
AFLOW prototype command aflow --proto=A2BC_oC8_38_d_b_a-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak z_{1}, \allowbreak z_{2}, \allowbreak y_{3}, \allowbreak z_{3}$

Other compounds with this structure

C$_{2}$CoDy,  C$_{2}$CoPu,  C$_{2}$CoSm,  C$_{2}$CoTh,  C$_{2}$ErFe,  C$_{2}$FeGd,  C$_{2}$FeSm,  C$_{2}$NiLa,  C$_{2}$NiNd,  C$_{2}$NiPa,  C$_{2}$NiPr,  C$_{2}$NiPu,  C$_{2}$NiSm,  C$_{2}$NiYb,  C$_{2}$PrRh


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

Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
$\mathbf{B_{1}}$ = $- z_{1} \, \mathbf{a}_{2}+z_{1} \, \mathbf{a}_{3}$ = $c z_{1} \,\mathbf{\hat{z}}$ (2a) Ni I
$\mathbf{B_{2}}$ = $\frac{1}{2} \, \mathbf{a}_{1}- z_{2} \, \mathbf{a}_{2}+z_{2} \, \mathbf{a}_{3}$ = $\frac{1}{2}a \,\mathbf{\hat{x}}+c z_{2} \,\mathbf{\hat{z}}$ (2b) Ce I
$\mathbf{B_{3}}$ = $\left(y_{3} - z_{3}\right) \, \mathbf{a}_{2}+\left(y_{3} + z_{3}\right) \, \mathbf{a}_{3}$ = $b y_{3} \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ (4d) C I
$\mathbf{B_{4}}$ = $- \left(y_{3} + z_{3}\right) \, \mathbf{a}_{2}- \left(y_{3} - z_{3}\right) \, \mathbf{a}_{3}$ = $- b y_{3} \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ (4d) C I

References

  • O. I. Bodak and E. P. Marusin, The Crystal Structure of RNiC$_2$ Compounds (R=Ce,La,Pr), Dopovidia Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko_Matematichni Ta Tekhnichni Nauki 41, 1048–1050 (1979).

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=A2BC_oC8_38_d_b_a --params=$a,b/a,c/a,z_{1},z_{2},y_{3},z_{3}$

Species:

Running:

Output: