Inorganic Solid Phases

Cu2CrZr(PO4)3 (Cu2ZrCr[PO4]3) Crystal Structure

General Information

  • Phase Label(s): Cu2ZrCr[PO4]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR174
  • Space Group: 167
  • Phase Prototype: Cu2(Zr0.5Cr0.5)2[PO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D1A (determination of structural parameters), neutrons; λ = 0.1909 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 187 reflections, RP = 0.042; wRP = 0.053; RB = 0.039
  • Sample Detail(s): sample prepared from ZrOCl2[H2O]8, Cr[NO3]3[H2O]9, CuO, HNO3, NH4H2PO4, other phases: CuCrO2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu2ZrCr[PO4]3
  • Alphabetic Formula: CrCu2[PO4]3Zr
  • Published Formula: Cu2CrZr(PO4)3
  • Refined Formula: CrCu2O12P3Zr
  • Wyckoff Sequence: 167,f4ec
  • Z Formula Units: 6
  • Density: ρ = 3.83 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_1414680

  • 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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