Inorganic Solid Phases

Sr0.496Ca1.504Al3Si3O12OH (SrCaAl3[SiO4][Si2O7]O[OH] mon) Crystal Structure

General Information

  • Phase Label(s): SrCaAl3[SiO4][Si2O7]O[OH] mon
  • 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; STOE STADI P (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, multiphase, wRP = 0.0467
  • Sample Detail(s): clinozoisite sample from synthetic, sample prepared from SiO2, γ-Al2O3, Ca[OH]2, α'-Sr2SiO4, electron microprobe analysis; Sr0.58(2)Ca1.41(2)Al2.99(1)Si3.01(1)O12[OH]; amounts of zoisite (56 wt.%) and quartz (3 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr0.496Ca1.504Al3[SiO4][Si2O7]O[OH]
  • Alphabetic Formula: Al3Ca1.504O[OH][SiO4][Si2O7]Sr0.496
  • Published Formula: Sr0.496Ca1.504Al3Si3O12OH
  • Refined Formula: Al3Ca1.50HO13Si3Sr0.50
  • 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1217038

  • 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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