Inorganic Solid Phases

{Mn2+2.19Fe2+0.64Mg0.05Ca0.032.90[Al1.88Fe3+0.20Ti4+0.022.10(Si2.88Al0.123O12, Sps73Alm19 (Ca0.03Mg0.05Ti0.02Mn2.19Fe0.84Al2Si2.88O12) Crystal Structure

General Information

  • Phase Label(s): Ca0.03Mg0.05Ti0.02Mn2.19Fe0.84Al2Si2.88O12
  • Structure Class(es): garnet family
  • Classification by Properties:
  • Mineral Name(s): spessartine
  • Pearson Symbol: cI160
  • Space Group: 230
  • Phase Prototype: Ca3Al2[SiO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. Illinois, Argonne National Laboratory, Advanced Photon Source, XSD-SRS, 11-BM-B beamline (determination of structural parameters), X-rays, synchrotron; λ = 0.041332 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RB = 0.0413
  • Sample Detail(s): spessartine sample from U.S.A. Colorado, Nathrop Chaffee County, Ruby Mt., electron microprobe analysis; {Mn2+2.19Fe2+0.64Mg0.05Ca0.03}[Al1.88Fe3+0.20Ti4+0.02](Si2.88Al0.12)O12; amounts of cubic phase (1.43 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca0.03Mg0.05Ti0.02Mn2.19Fe0.84Al2Si2.88O12
  • Alphabetic Formula: Al2Ca0.03Fe0.84Mg0.05Mn2.19O12Si2.88Ti0.02
  • Published Formula: {Mn2+2.19Fe2+0.64Mg0.05Ca0.032.90[Al1.88Fe3+0.20Ti4+0.022.10(Si2.88Al0.123O12, Sps73Alm19
  • Refined Formula: Al1.91Ca0.03Fe0.83Mg0.05Mn2.18O12Si2.88Ti0.02
  • Wyckoff Sequence: 230,hdca
  • Z Formula Units: 8
  • Density: ρ = 4.23 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
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_1643050

  • 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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