Inorganic Solid Phases

CaAl2(Al2Si2)O10(OH)2 (CaAl4Si2O10[OH]2) Crystal Structure

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General Information

  • Phase Label(s): CaAl4Si2O10[OH]2
  • Structure Class(es): mica family
  • Classification by Properties: –
  • Mineral Name(s): margarite
  • Pearson Symbol: mS76
  • Space Group: 15
  • Phase Prototype: KAl2(Al0.25Si0.75)4O10[OH]2-a
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement, R = 0.165
  • Sample Detail(s): margarite sample from Switzerland, Swiss Alps, Lukmanier Pass, chemical analysis; (Ca0.87Na0.13)Al2(Al2Si2)O10[OH]2, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CaAl4Si2O10[OH]2
  • Alphabetic Formula: Al4CaO10[OH]2Si2
  • Published Formula: CaAl2(Al2Si2)O10(OH)2
  • Refined Formula: Al4CaH2O12Si2
  • Wyckoff Sequence: 15,f9e
  • Z Formula Units: 4
  • Density: ρ = 3.06 Mg·m−3
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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_1214450

  • 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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