Inorganic Solid Phases

(BiSe)1.22(Cr1.2Se2)2 (Cr2.4Bi1.22Se5.22, T = 250(2) K) Crystal Structure

General Information

  • Phase Label(s): Cr2.4Bi1.22Se5.22
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS94
  • Space Group: 8
  • Phase Prototype: Cr2.4Bi1.22Se5.22
  • Measurement Detail(s): automatic diffractometer; 2743 (determination of cell parameters), automatic diffractometer; Bruker AXS KAPPA APEX II (determination of structural parameters), X-rays, Cu Kα; λ = 0.154178 nm (determination of cell and structural parameters), T = 250(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): selenide
  • Interpretation Detail(s): commensurate approximant determined; absolute structure determined, full-matrix least-squares refinement; 200 variables; 1625 reflections; I > 2σ(I), R = 0.1179; wR = 0.3390
  • Sample Detail(s): sample prepared from Bi2Se3, Cr2Se3, energy-dispersive X-ray analysis; (BiSe)1.11(Cr1.3Se2)2, single crystal (determination of cell parameters), single crystal, 0.02×0.05×0.05 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cr2.4Bi1.22Se5.22
  • Alphabetic Formula: Bi1.22Cr2.4Se5.22
  • Published Formula: (BiSe)1.22(Cr1.2Se2)2
  • Refined Formula: Bi1.20Cr2.40Se5.20
  • Wyckoff Sequence: 8,b18a11
  • Z Formula Units: 10
  • Density: ρ = 6.86 Mg·m−3

Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1642744

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

  • Cite this content

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