Inorganic Solid Phases

Cu5(AsO4)2(OH)4, about 10% (PO4) (Cu5[AsO4]1.8[PO4]0.2[OH]4) Crystal Structure

General Information

  • Phase Label(s): Cu5[AsO4]1.8[PO4]0.2[OH]4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): cornwallite
  • Pearson Symbol: mP38
  • Space Group: 14
  • Phase Prototype: Cu5[PO4]2[OH]4-a
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): arsenate, hydroxide, orthophosphate
  • Interpretation Detail(s): complete structure determined, 96 variables; 780 reflections; I > 2σ(I), R = 0.0294; wR = 0.0720
  • Sample Detail(s): cornwallite sample from Germany, Baden-Württemberg, Black Forest, Clara mine, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Cu5[AsO4]1.8[PO4]0.2[OH]4
  • Alphabetic Formula: [AsO4]1.8Cu5[OH]4[PO4]0.2
  • Published Formula: Cu5(AsO4)2(OH)4, about 10% (PO4)
  • Refined Formula: As1.80Cu5H4O12P0.20
  • Wyckoff Sequence: 14,e9b
  • Z Formula Units: 2
  • Density: ρ = 4.73 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
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_1624057

  • 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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