Inorganic Solid Phases

m-Ni3(AsO4)2 (Ni3[AsO4]2 xan) Crystal Structure

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General Information

  • Phase Label(s): Ni3[AsO4]2 xan
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): xanthiosite
  • Pearson Symbol: mP52
  • Space Group: 14
  • Phase Prototype: Co3[AsO4]2
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell and structural parameters), T = 295 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): arsenate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 119 variables; 1640 reflections; I > 2.5σ(I), R = 0.040; wR = 0.031
  • Sample Detail(s): xanthiosite sample from synthetic, sample prepared from Ni3[AsO]2[H2O]8, single crystal (determination of cell parameters), single crystal, 0.08×0.13×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ni3[AsO4]2
  • Alphabetic Formula: [AsO4]2Ni3
  • Published Formula: m-Ni3(AsO4)2
  • Refined Formula: As2Ni3O8
  • Wyckoff Sequence: 14,e13
  • Z Formula Units: 4
  • Density: ρ = 5.38 Mg·m−3
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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_1410536

  • 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)

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