Inorganic Solid Phases

Ca3Cr2(TixSi1−x)3O12, x= 0.05 (Ca3Ti0.6Cr2[SiO4]2.4O2.4) Crystal Structure

General Information

  • Phase Label(s): Ca3Ti0.6Cr2[SiO4]2.4O2.4
  • Structure Class(es): garnet family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI160
  • Space Group: 230
  • Phase Prototype: Ca3Al2[SiO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens D500 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters), T = 295(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.1007; wRP = 0.1372; RB = 0.0486
  • Sample Detail(s): sample prepared from CrCl3[H2O]6, CaCl2[H2O]2, Si(C2H5O)4, HCl, C12H28O4Ti, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca3Ti0.15Cr2[SiO4]2.85O0.60
  • Alphabetic Formula: Ca3Cr2O0.60[SiO4]2.85Ti0.15
  • Published Formula: Ca3Cr2(TixSi1−x)3O12, x= 0.05
  • Refined Formula: Ca3Cr2O12Si2.90Ti0.10
  • Wyckoff Sequence: 230,hdca
  • Z Formula Units: 8
  • Density: ρ = 3.85 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_1910882

  • 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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