Inorganic Solid Phases

Ca2As2O7 (Ca2[As2O7]) Crystal Structure

General Information

  • Phase Label(s): Ca2[As2O7]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS22
  • Space Group: 12
  • Phase Prototype: Sc2[Si2O7]
  • Measurement Detail(s): film; 18 (determination of cell parameters), automatic diffractometer; 2-circle (determination of structural parameters), X-rays, Cu Kα (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): diarsenate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 465 reflections; F > 4σ(F), R = 0.024
  • Sample Detail(s): sample prepared from Ca3[AsO4]2, chemical analysis; composition confirmed, powder (determination of cell parameters), single crystal, 0.05×0.17×0.20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca2[As2O7]
  • Alphabetic Formula: [As2O7]Ca2
  • Published Formula: Ca2As2O7
  • Refined Formula: As2Ca2O7
  • Wyckoff Sequence: 12,ji2gc
  • Z Formula Units: 2
  • Density: ρ = 3.62 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
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1713237

  • 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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