Inorganic Solid Phases

[Cr(NH3)6][CuBr5] (CuCrBr5[NH3]6) Crystal Structure

General Information

  • Phase Label(s): CuCrBr5[NH3]6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cF416
  • Space Group: 228
  • Phase Prototype: CuCrCl5[NH3]6
  • Measurement Detail(s): automatic diffractometer; 12 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα; λ = 0.070926 nm (determination of cell and structural parameters), T = 295 K (determination of cell parameters)
  • Phase Class(es):
  • Compound Class(es): bromide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 189 reflections; F2 > 3σ(F2), R = 0.031
  • Sample Detail(s): sample prepared from HBr, NaBr, CuSO4[H2O]5, Cr[NH3]6Br3, chemical analysis; 2.9 wt.% H, 13.5 wt.% N, 64.0 wt.% Br, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CuCrBr5[NH3]6
  • Alphabetic Formula: Br5CrCu[NH3]6
  • Published Formula: [Cr(NH3)6][CuBr5]
  • Refined Formula: Br5CrCuH18N6
  • Wyckoff Sequence: 228,hgecb
  • Z Formula Units: 32
  • Density: ρ = 2.68 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1905263

  • 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

    Citation copied