Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: A2BC_oC8_38_e_a_b

  • 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)
  • D. Hicks, M. J. Mehl, E. Gossett, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 2, Comp. Mat. Sci. 161, S1-S1011 (2019). (doi=10.1016/j.commatsci.2018.10.043)
  • D. Hicks, M.J. Mehl, M. Esters, C. Oses, O. Levy, G.L.W. Hart, C. Toher, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 3, Comp. Mat. Sci. 199, 110450 (2021). (doi=10.1016/j.commatsci.2021.110450)

C2CeNi Structure: A2BC_oC8_38_e_a_b

Picture of Structure; Click for Big Picture
Prototype : C2CeNi
AFLOW prototype label : A2BC_oC8_38_e_a_b
Strukturbericht designation : None
Pearson symbol : oC8
Space group number : 38
Space group symbol : $\text{Amm2}$
AFLOW prototype command : aflow --proto=A2BC_oC8_38_e_a_b
--params=
$a$,$b/a$,$c/a$,$z_{1}$,$z_{2}$,$y_{3}$,$z_{3}$


Other compounds with this structure

  • C2CoDy, C2ErFe, C2FeSm, C2NiPa, C2NiYb, C2PrRh, many other C2XY

Base-centered Orthorhombic primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & a \, \mathbf{\hat{x}} \\ \mathbf{a}_2 & = & \frac12 \, b \, \mathbf{\hat{y}} - \frac12 \, c \, \mathbf{\hat{z}} \\ \mathbf{a}_3 & = & \frac12 \, b \, \mathbf{\hat{y}} + \frac12 \, c \, \mathbf{\hat{z}} \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & =& - z_{1} \, \mathbf{a}_{2} + z_{1} \, \mathbf{a}_{3}& =& z_{1} \, c \, \mathbf{\hat{z}}& \left(2a\right) & \text{Ce} \\ \mathbf{B}_{2} & =& \frac12 \, \mathbf{a}_{1} - z_{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3}& =& \frac12 \, a \, \mathbf{\hat{x}} + z_{2} \, c \, \mathbf{\hat{z}}& \left(2b\right) & \text{Ni} \\ \mathbf{B}_{3} & =& \frac12 \, \mathbf{a}_{1} + \left(y_{3} - z_{3}\right) \, \mathbf{a}_{2} + \left(y_{3} + z_{3}\right) \, \mathbf{a}_{3}& =& \frac12 \, a \, \mathbf{\hat{x}} + y_{3} \, b \, \mathbf{\hat{y}} + z_{3} \, c \, \mathbf{\hat{z}}& \left(4e\right) & \text{C} \\ \mathbf{B}_{4} & =& \frac12 \, \mathbf{a}_{1} - \left(y_{3} + z_{3}\right) \, \mathbf{a}_{2} + \left(z_{3} - y_{3}\right) \, \mathbf{a}_{3}& =& \frac12 \, a \, \mathbf{\hat{x}} - y_{3} \, b \, \mathbf{\hat{y}} + z_{3} \, c \, \mathbf{\hat{z}}& \left(4e\right) & \text{C} \\ \end{array} \]

References

  • O. Y. Bodak and J. P. Marusin, The Crystal Structure of RNiC2 Compounds (R=Ce,La,Pr), Dopovidi Akademii Nauk Ukrains'koj RSR Seriya A, Fiziko–Tekhnichni ta Matematichni Nauki 12, 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., pp. 1858-1859.

Geometry files


Prototype Generator

aflow --proto=A2BC_oC8_38_e_a_b --params=

Species:

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