Inorganic Solid Phases

Ca2Al2Al0.884Fe0.116[SiO4/Si2O7(O/OH)] (Ca2Fe0.1Al2.9[SiO4][Si2O7]O[OH]) Crystal Structure

General Information

  • Phase Label(s): Ca2Fe0.1Al2.9[SiO4][Si2O7]O[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): zoisite
  • Pearson Symbol: oP84
  • Space Group: 62
  • Phase Prototype: Ca2Al3[SiO4][Si2O7]O[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE STADI (determination of structural parameters), X-rays, Cu Kα1 (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, disilicate, oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement; 73 variables
  • Sample Detail(s): zoisite sample from synthetic, sample prepared from SiO2, Al2O3, Ca[OH]2, Fe2O3 (hematite), electron microprobe analysis; 39.37 wt.% SiO2, 31.88 wt.% Al2O3, 2.02 wt.% Fe2O3, 24.22 wt.% CaO; trace amounts of SiO2 and clinozoisite, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca2Fe0.116Al2.884[SiO4][Si2O7]O[OH]
  • Alphabetic Formula: Al2.884Ca2Fe0.116O[OH][SiO4][Si2O7]
  • Published Formula: Ca2Al2Al0.884Fe0.116[SiO4/Si2O7(O/OH)]
  • Refined Formula: Al2.88Ca2Fe0.12HO13Si3
  • Wyckoff Sequence: 62,d4c13
  • Z Formula Units: 4
  • Density: ρ = 3.36 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_1904766

  • 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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