Inorganic Solid Phases

0.982CaAl2[(OH)2Si2O7]H2O·0.018SrAl2[(OH)2Si2O7]H2O (Sr0.4Ca0.6Al2[Si2O7][OH]2[H2O]) Crystal Structure

General Information

  • Phase Label(s): Sr0.4Ca0.6Al2[Si2O7][OH]2[H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): lawsonite/itoigawaite O
  • Pearson Symbol: oS60
  • Space Group: 63
  • Phase Prototype: CaAl2[Si2O7][OH]2[H2O]
  • 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, disilicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; composition dependence studied, Rietveld refinement, multiphase; 96 variables, wRP = 0.098
  • Sample Detail(s): lawsonite sample from synthetic, sample prepared from α-quartz, γ-Al2O3, Ca[OH]2, SrSiO3, electron microprobe analysis; Si2.01(1)Al2.00(1)Ca0.96(1)Sr0.02(1) on basis of 8 O atoms; amounts of coesite (5 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Sr0.018Ca0.982Al2[Si2O7][OH]2[H2O]
  • Alphabetic Formula: Al2Ca0.982[H2O][OH]2[Si2O7]Sr0.018
  • Published Formula: 0.982CaAl2[(OH)2Si2O7]H2O·0.018SrAl2[(OH)2Si2O7]H2O
  • Refined Formula: Al2Ca0.98H4O10Si2Sr0.02
  • Wyckoff Sequence: 63,hf3dc3
  • Z Formula Units: 4
  • Density: ρ = 3.10 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_1224702

  • 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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