Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: A8B7C6_hP126_176_2h3i_acd6h_3i-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.

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https://aflow.org/p/01SA
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NbRhB Structure: A8B7C6_hP126_176_2h3i_acd6h_3i-001





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Prototype BNbRh
AFLOW prototype label A8B7C6_hP126_176_2h3i_acd6h_3i-001
ICSD 263043
Pearson symbol hP126
Space group number 176
Space group symbol
AFLOW prototype command aflow --proto=A8B7C6_hP126_176_2h3i_acd6h_3i-001
--params=

Other compounds with this structure

TaRhB


  • (Zheng, 2012) place the Nb-I (their Nb3) atom on the (2b) Wyckoff position, but give the coordinates for the (2a) position. We assume that the coordinates are correct. This assessment agrees with the ICSD entry.


Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
= = (2a) Nb I
= = (2a) Nb I
= = (2c) Nb II
= = (2c) Nb II
= = (2d) Nb III
= = (2d) Nb III
= = (6h) B I
= = (6h) B I
= = (6h) B I
= = (6h) B I
= = (6h) B I
= = (6h) B I
= = (6h) B II
= = (6h) B II
= = (6h) B II
= = (6h) B II
= = (6h) B II
= = (6h) B II
= = (6h) Nb IV
= = (6h) Nb IV
= = (6h) Nb IV
= = (6h) Nb IV
= = (6h) Nb IV
= = (6h) Nb IV
= = (6h) Nb V
= = (6h) Nb V
= = (6h) Nb V
= = (6h) Nb V
= = (6h) Nb V
= = (6h) Nb V
= = (6h) Nb VI
= = (6h) Nb VI
= = (6h) Nb VI
= = (6h) Nb VI
= = (6h) Nb VI
= = (6h) Nb VI
= = (6h) Nb VII
= = (6h) Nb VII
= = (6h) Nb VII
= = (6h) Nb VII
= = (6h) Nb VII
= = (6h) Nb VII
= = (6h) Nb VIII
= = (6h) Nb VIII
= = (6h) Nb VIII
= = (6h) Nb VIII
= = (6h) Nb VIII
= = (6h) Nb VIII
= = (6h) Nb IX
= = (6h) Nb IX
= = (6h) Nb IX
= = (6h) Nb IX
= = (6h) Nb IX
= = (6h) Nb IX
= = (12i) B III
= = (12i) B III
= = (12i) B III
= = (12i) B III
= = (12i) B III
= = (12i) B III
= = (12i) B III
= = (12i) B III
= = (12i) B III
= = (12i) B III
= = (12i) B III
= = (12i) B III
= = (12i) B IV
= = (12i) B IV
= = (12i) B IV
= = (12i) B IV
= = (12i) B IV
= = (12i) B IV
= = (12i) B IV
= = (12i) B IV
= = (12i) B IV
= = (12i) B IV
= = (12i) B IV
= = (12i) B IV
= = (12i) B V
= = (12i) B V
= = (12i) B V
= = (12i) B V
= = (12i) B V
= = (12i) B V
= = (12i) B V
= = (12i) B V
= = (12i) B V
= = (12i) B V
= = (12i) B V
= = (12i) B V
= = (12i) Rh I
= = (12i) Rh I
= = (12i) Rh I
= = (12i) Rh I
= = (12i) Rh I
= = (12i) Rh I
= = (12i) Rh I
= = (12i) Rh I
= = (12i) Rh I
= = (12i) Rh I
= = (12i) Rh I
= = (12i) Rh I
= = (12i) Rh II
= = (12i) Rh II
= = (12i) Rh II
= = (12i) Rh II
= = (12i) Rh II
= = (12i) Rh II
= = (12i) Rh II
= = (12i) Rh II
= = (12i) Rh II
= = (12i) Rh II
= = (12i) Rh II
= = (12i) Rh II
= = (12i) Rh III
= = (12i) Rh III
= = (12i) Rh III
= = (12i) Rh III
= = (12i) Rh III
= = (12i) Rh III
= = (12i) Rh III
= = (12i) Rh III
= = (12i) Rh III
= = (12i) Rh III
= = (12i) Rh III
= = (12i) Rh III

References

  • Q. Zheng, M. Kohout, R. Gumeniuk, N. Abramchuk, H. Borrmann, Y. Prots, U. Burkhardt, W. Schnelle, L. Akselrud, H. Gu, A. Leithe-Jasper, and Y. Grin, TMTM'B (TM = Ta, Nb; TM' = Ru, Rh, Ir): New Compounds with [B] Ring Polyanions, Inorg. Chem. 51, 7492–7483 (2012), doi:10.1021/ic201978n.

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