Inorganic Solid Phases

Cu2(OH)PO4 (Cu2[PO4][OH] rt) Crystal Structure

General Information

  • Phase Label(s): Cu2[PO4][OH] rt
  • Structure Class(es):
  • Classification by Properties: antiferromagnet AFM
  • Mineral Name(s): libethenite
  • Pearson Symbol: oP32
  • Space Group: 58
  • Phase Prototype: Zn2[AsO4][OH]
  • Measurement Detail(s): automatic diffractometer; 40 (determination of cell parameters), automatic diffractometer; Picker (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 945 reflections, R = 0.031; wR = 0.032
  • Sample Detail(s): libethenite sample from Slovakia, Lubietova (Libetbanya, Libethen), chemical analysis; 66.29 wt.% CuO, 26.46 wt.% P2O5, 2.3 wt.% As2O5, 4.04 wt.% H2O, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu2[PO4][OH]
  • Alphabetic Formula: Cu2[OH][PO4]
  • Published Formula: Cu2(OH)PO4
  • Refined Formula: Cu2HO5P
  • Wyckoff Sequence: 58,hg5e
  • Z Formula Units: 4
  • Density: ρ = 3.99 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_1012975

  • 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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