Inorganic Solid Phases

Ca2Al2.5Cr0.5Si3O12(OH) (Ca2CrAl2[SiO4][Si2O7]O[OH]) Crystal Structure

General Information

  • Phase Label(s): Ca2CrAl2[SiO4][Si2O7]O[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP42
  • Space Group: 11
  • Phase Prototype: Ca2FeAl2[SiO4][Si2O7]O[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; PANalytical X'Pert PRO MPD (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, disilicate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined; composition dependence studied, Rietveld refinement, multiphase, RP = 0.0373; wRP = 0.0504; RB = 0.0320
  • Sample Detail(s): sample prepared from CaCO3, γ-Al2O3, Cr2O3, (C2H5O)4Si, NH4OH, electron microprobe analysis; Si3.02(5)Al2.69(7)Cr0.28(1)Ca2.00(1)O12[OH]; amounts of grossular (15.3 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca2Cr0.5Al2.5[SiO4][Si2O7]O[OH]
  • Alphabetic Formula: Al2.5Ca2Cr0.5O[OH][SiO4][Si2O7]
  • Published Formula: Ca2Al2.5Cr0.5Si3O12(OH)
  • Refined Formula: Al2.72Ca2Cr0.28HO13Si3
  • Wyckoff Sequence: 11,f3e13ca
  • Z Formula Units: 2
  • Density: ρ = 3.40 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_1223914

  • 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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