Inorganic Solid Phases

52% (almandine+pyrope)-48% (grossularite+andradit) (Ca3Fe0.1Al1.9[SiO4]3) Crystal Structure

General Information

  • Phase Label(s): Ca3Fe0.1Al1.9[SiO4]3
  • Structure Class(es): garnet family
  • Classification by Properties: nonmetal
  • Mineral Name(s): grossular
  • Pearson Symbol: cI160
  • Space Group: 230
  • Phase Prototype: Ca3Al2[SiO4]3
  • Measurement Detail(s): film (determination of cell and structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate
  • Interpretation Detail(s): complete structure determined, trial-and-error
  • Sample Detail(s): garnet group sample from Austria, Carinthia, Spittal an der Drau, Lieserschlucht, sample prepared from garnet, chemical analysis; 36.91 wt.% SiO2, 0.22 wt.% TiO2, 19.24 wt.% Al2O3, 5.04 wt.% Fe2O3, 19.58 wt.% FeO, 0.42 wt.% MnO, 1.93 wt.% MgO, 16.61 wt.% CaO, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca1.5Fe1.78Al1.78[SiO4]2.94O0.24
  • Alphabetic Formula: Al1.78Ca1.5Fe1.78O0.24[SiO4]2.94
  • Published Formula: 52% (almandine+pyrope)-48% (grossularite+andradit)
  • Refined Formula: Al1.78Ca1.50Fe1.78O12Si2.94
  • Wyckoff Sequence: 230,hdca
  • Z Formula Units: 8
  • Density: ρ = 4.03 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1713600

  • 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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