Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: AB2_oC6_21_a_k-002

This structure originally had the label AB2_oC6_21_a_k.HoSb2. Calls to that address will be redirected here.

If you are using this page, please cite:
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)

Links to this page

https://aflow.org/p/DD5U
or https://aflow.org/p/AB2_oC6_21_a_k-002
or PDF Version

HoSb$_{2}$ Structure: AB2_oC6_21_a_k-002

Picture of Structure; Click for Big Picture
Prototype HoSb$_{2}$
AFLOW prototype label AB2_oC6_21_a_k-002
ICSD 26220
Pearson symbol oC6
Space group number 21
Space group symbol $C222$
AFLOW prototype command aflow --proto=AB2_oC6_21_a_k-002
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak z_{2}$

Other compounds with this structure

LuSb$_{2}$,  YSb$_{2}$,  DySb$_{2}$ (HT),  GdSb$_{2}$ (HT),  TbSb$_{2}$ (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.
  • HoSb$_{2}$ and Ta$_{2}$H 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 (--params) specified in their corresponding CIF files.

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

Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
$\mathbf{B_{1}}$ = $0$ = $0$ (2a) Ho I
$\mathbf{B_{2}}$ = $\frac{1}{2} \, \mathbf{a}_{2}+z_{2} \, \mathbf{a}_{3}$ = $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{2} \,\mathbf{\hat{z}}$ (4k) Sb I
$\mathbf{B_{3}}$ = $\frac{1}{2} \, \mathbf{a}_{1}- z_{2} \, \mathbf{a}_{3}$ = $\frac{1}{4}a \,\mathbf{\hat{x}}- \frac{1}{4}b \,\mathbf{\hat{y}}- c z_{2} \,\mathbf{\hat{z}}$ (4k) Sb I

References

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

Found in


Prototype Generator

aflow --proto=AB2_oC6_21_a_k --params=$a,b/a,c/a,z_{2}$

Species:

Running:

Output: