Inorganic Solid Phases

(Ca3Fe3+2Si3O12)x-(Fe2+3Fe3+2Si3O12)1−x, x= 0.52; sample and52 (Ca3Fe2[SiO4]3) Crystal Structure

General Information

  • Phase Label(s): Ca3Fe2[SiO4]3
  • Structure Class(es): garnet family
  • Classification by Properties:
  • Mineral Name(s): andradite
  • Pearson Symbol: cI160
  • Space Group: 230
  • Phase Prototype: Ca3Al2[SiO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Co Kα1 (determination of cell parameters), X-rays, Mo Kα; λ = 0.070930 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate
  • Interpretation Detail(s): complete structure determined; composition dependence studied, least-squares refinement; 17 variables, R = 0.018; wR = 0.027
  • Sample Detail(s): garnet group sample from synthetic, sample prepared from CaCO3, Fe2O3 (hematite), SiO2, electron microprobe analysis; composition determined, powder (determination of cell parameters), single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca1.56Fe3.44[SiO4]3
  • Alphabetic Formula: Ca1.56Fe3.44[SiO4]3
  • Published Formula: (Ca3Fe3+2Si3O12)x-(Fe2+3Fe3+2Si3O12)1−x, x= 0.52; sample and52
  • Refined Formula: Ca1.56Fe3.44O12Si3
  • Wyckoff Sequence: 230,hdca
  • Z Formula Units: 8
  • Density: ρ = 4.17 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

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1324430

  • 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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