Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: AB2_oC6_21_a_k.HoSb2

  • 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)

HoSb2 Structure : AB2_oC6_21_a_k

Picture of Structure; Click for Big Picture
Prototype : HoSb2
AFLOW prototype label : AB2_oC6_21_a_k
Strukturbericht designation : None
Pearson symbol : oC6
Space group number : 21
Space group symbol : $C222$
AFLOW prototype command : aflow --proto=AB2_oC6_21_a_k
--params=
$a$,$b/a$,$c/a$,$z_{2}$


Other compounds with this structure

  • LuSb2, YSb2, DySb2 (HT), GdSb2 (HT), and TbSb2 (HT)

  • Measurements were performed at a pressure of 65 kbar.
  • The primitive unit cell is nearly hexagonal.
  • The author states We are well aware of the fact that the structure presented here may indeed be only a subcell of the true structure.
  • HoSb2 and Ta2H share the same AFLOW prototype label, AB2_oC6_21_a_k. The structures are generated by the same symmetry operations with different sets of parameters (\texttt––params) specified in their corresponding CIF files.

Base-centered Orthorhombic primitive vectors:

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

Basis vectors:

\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(2a\right) & \text{Ho} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(4k\right) & \text{Sb} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{1}-z_{2} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}}- \frac{1}{4}b \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(4k\right) & \text{Sb} \\ \end{array} \]

References

  • Q. Johnson, The Crystal Structure of High–Pressure Synthesized Holmium Diantimonde, Inorg. Chem. 10, 2089–2090 (1971), doi:10.1021/ic50103a059.

Found in

  • M. N. Abdusaljamova, O. R. Burnashev, and K. E. Mironov, The Ho–Sb Alloy System, J. Less–Common Met. 102, L19–L22 (1984), doi:10.1016/0022-5088(84)90403-X.

Geometry files


Prototype Generator

aflow --proto=AB2_oC6_21_a_k --params=

Species:

Running:

Output: