Inorganic Solid Phases

(Fe1.72Mg0.8Mn0.01Ca0.02)(Fe0.04Al2.36)Si2.93O12; Al70Py29 (Ca0.8Mg0.2Mn0.1Fe1.9Al2[SiO4]3) Crystal Structure

General Information

  • Phase Label(s): Ca0.8Mg0.2Mn0.1Fe1.9Al2[SiO4]3
  • Structure Class(es): garnet family
  • Classification by Properties: nonmetal
  • Mineral Name(s): almandine/grossular/pyrope/spessartine
  • Pearson Symbol: cI160
  • Space Group: 230
  • Phase Prototype: Ca3Al2[SiO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 ADVANCE (determination of structural parameters), X-rays, Cu Kα; λ = 0.15406 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.0128
  • Sample Detail(s): almandine-pyrope sample from, sample prepared from almandine-pyrope, electron microprobe analysis; Ca0.02Mg0.8Mn0.01Fe1.76Al2.36Si2.93O12; 70.05 mol.% almandine, 28.56 mol.% pyrope, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca0.02Mg0.8Mn0.01Fe1.76Al2.36[SiO4]2.93O0.28
  • Alphabetic Formula: Al2.36Ca0.02Fe1.76Mg0.8Mn0.01O0.28[SiO4]2.93
  • Published Formula: (Fe1.72Mg0.8Mn0.01Ca0.02)(Fe0.04Al2.36)Si2.93O12; Al70Py29
  • Refined Formula: Al1.96Ca0.02Fe2.05Mg0.93Mn0.01O12Si2.94
  • Wyckoff Sequence: 230,hdca
  • Z Formula Units: 8
  • Density: ρ = 3.94 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1146732

  • 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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