Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: A15B_oI128_71_lmn6o_eg-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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Orthorhombic Fullerene (CsC) Structure: A15B_oI128_71_lmn6o_eg-001





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Prototype CCs
AFLOW prototype label A15B_oI128_71_lmn6o_eg-001
ICSD None
Pearson symbol oI128
Space group number 71
Space group symbol
AFLOW prototype command aflow --proto=A15B_oI128_71_lmn6o_eg-001
--params=

  • The Cesium (4e) and (4g) sites each have 75% occupancy.


Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
= = (4e) Cs I
= = (4e) Cs I
= = (4g) Cs II
= = (4g) Cs II
= = (8l) C I
= = (8l) C I
= = (8l) C I
= = (8l) C I
= = (8m) C II
= = (8m) C II
= = (8m) C II
= = (8m) C II
= = (8n) C III
= = (8n) C III
= = (8n) C III
= = (8n) C III
= = (16o) C IV
= = (16o) C IV
= = (16o) C IV
= = (16o) C IV
= = (16o) C IV
= = (16o) C IV
= = (16o) C IV
= = (16o) C IV
= = (16o) C V
= = (16o) C V
= = (16o) C V
= = (16o) C V
= = (16o) C V
= = (16o) C V
= = (16o) C V
= = (16o) C V
= = (16o) C VI
= = (16o) C VI
= = (16o) C VI
= = (16o) C VI
= = (16o) C VI
= = (16o) C VI
= = (16o) C VI
= = (16o) C VI
= = (16o) C VII
= = (16o) C VII
= = (16o) C VII
= = (16o) C VII
= = (16o) C VII
= = (16o) C VII
= = (16o) C VII
= = (16o) C VII
= = (16o) C VIII
= = (16o) C VIII
= = (16o) C VIII
= = (16o) C VIII
= = (16o) C VIII
= = (16o) C VIII
= = (16o) C VIII
= = (16o) C VIII
= = (16o) C IX
= = (16o) C IX
= = (16o) C IX
= = (16o) C IX
= = (16o) C IX
= = (16o) C IX
= = (16o) C IX
= = (16o) C IX

References

  • Y. Yoshida, Y. Kubozono, S. Kashino, and Y. Murakami, Structure and electronic properties of CsC under ambient pressure revealed by X-ray diffraction and ESR, Chem. Phys. Lett. 291, 31–36 (1998), doi:10.1016/S0009-2614(98)00598-3.

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