Inorganic Solid Phases

[Ca][Ca0.86Sr0.14][Al][Al][Al0.43Cr3+0.09Fe3+0.48]Si3O12(OH) (Sr0.10Ca1.90Cr0.31Fe0.49Al2.20[SiO4][Si2O7]O[OH]) Crystal Structure

General Information

  • Phase Label(s): Sr0.10Ca1.90Cr0.31Fe0.49Al2.20[SiO4][Si2O7]O[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): epidote
  • Pearson Symbol: mP42
  • Space Group: 11
  • Phase Prototype: Ca2FeAl2[SiO4][Si2O7]O[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS RAPID (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 293 K (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, full-matrix least-squares refinement on F2; 124 variables, R = 0.0581; wR = 0.1572
  • Sample Detail(s): epidote sample from Japan, Shikoku Island, Sambagawa belt, Iratsu, electron microprobe analysis; (La0.003Pr0.003Nd0.001K0.004Na0.001Ba0.002Sr0.145Ca1.745Mg0.008Mn2+0.006)1.918(Fe3+0.487Cr3+0.113Ti0.008Al2.462)3.070(Al0.048Si0.952)3.000O13H0.992, single crystal (determination of cell parameters), single crystal, 0.20×0.20×0.40 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Sr0.14Ca1.86Cr0.09Fe0.48Al2.43[SiO4][Si2O7]O[OH]
  • Alphabetic Formula: Al2.43Ca1.86Cr0.09Fe0.48O[OH][SiO4][Si2O7]Sr0.14
  • Published Formula: [Ca][Ca0.86Sr0.14][Al][Al][Al0.43Cr3+0.09Fe3+0.48]Si3O12(OH)
  • Refined Formula: Al2.43Ca1.86Cr0.09Fe0.48HO13Si3Sr0.14
  • Wyckoff Sequence: 11,f3e13ca
  • Z Formula Units: 2
  • Density: ρ = 3.47 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]

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_1819088

  • 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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