Inorganic Solid Phases

CaFe5.3Mg0.7(SiO4)2(PO4)2 (CaMg0.7Fe5.3[SiO4]2[PO4]2) Crystal Structure

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General Information

  • Phase Label(s): CaMg0.7Fe5.3[SiO4]2[PO4]2
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): harrisonite
  • Pearson Symbol: hR81
  • Space Group: 166
  • Phase Prototype: Ca(Mg0.12Fe0.88)6[SiO4]2[PO4]2
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Nicolet R3m (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate, orthosilicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 334 reflections; F > 4σ(F), R = 0.025; wR = 0.021
  • Sample Detail(s): harrisonite sample from Canada, Arctic, Arcedekne Island, single crystal (determination of cell parameters), single crystal, 0.12×0.12×0.19 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CaMg0.7Fe5.3[SiO4]2[PO4]2
  • Alphabetic Formula: CaFe5.3Mg0.7[PO4]2[SiO4]2
  • Published Formula: CaFe5.3Mg0.7(SiO4)2(PO4)2
  • Refined Formula: CaFe5.30Mg0.70O16P2Si2
  • Wyckoff Sequence: 166,h3c4a
  • Z Formula Units: 3
  • Density: ρ = 4.00 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1906893

  • 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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