Inorganic Solid Phases

Cs3Cr2Br3Cl6 Crystal Structure

General Information

  • Phase Label(s): Cs3Cr2Br3Cl6
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP28
  • Space Group: 194
  • Phase Prototype: Cs3Cr2Cl9
  • Measurement Detail(s): automatic diffractometer; 13 (determination of cell parameters), automatic diffractometer; Siemens AED (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): bromide, chloride
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F; 21 variables, R = 0.050
  • Sample Detail(s): sample prepared from CsBr, CrCl3, electron microprobe analysis; detected Cr 10.6(1) wt.%, Cl 22.0(2) wt.%, Br 25.0(1) wt.%, single crystal (determination of cell parameters), single crystal, 0.14×0.05 mm2 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs3Cr2Br3Cl6
  • Alphabetic Formula: Br3Cl6Cr2Cs3
  • Published Formula: Cs3Cr2Br3Cl6
  • Refined Formula: Br2.82Cl6.18Cr2Cs3
  • Wyckoff Sequence: 194,khf2b
  • Z Formula Units: 2
  • Density: ρ = 3.74 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1100287

  • 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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