Inorganic Solid Phases

(Ca0.73Na0.21)(Al2.01Fe0.03Mg0.10Li0.12)Si1.94Al2.06O10(OH)2 (Na0.21Li0.12Ca0.73Mg0.10Fe0.03Al4.07Si1.94O10[OH]2) Crystal Structure

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General Information

  • Phase Label(s): Na0.21Li0.12Ca0.73Mg0.10Fe0.03Al4.07Si1.94O10[OH]2
  • Structure Class(es): mica family
  • Classification by Properties: –
  • Mineral Name(s): margarite
  • Pearson Symbol: mS80
  • Space Group: 9
  • Phase Prototype: Li0.3Ca0.75Mg0.10Al4[SiO4]2O2[OH]2
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Germany, Hamburg, Deutsches Elektronen-Synchrotron DESY, HASYLAB (determination of structural parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of cell parameters), X-rays, synchrotron (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F; 177 variables; 4056 reflections, R = 0.027; wR = 0.041
  • Sample Detail(s): margarite sample from Austria, Tyrol, Zillertal, Greiner, chemical analysis; (Ca0.73Na0.21)(Al2.01Fe0.03Mg0.10Li0.12)Si1.94Al2.06O10[OH]2, single crystal (determination of cell parameters), single crystal, 0.07×0.25×0.38 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.21Li0.12Ca0.73Mg0.10Fe0.03Al4.07Si1.94O10[OH]2
  • Alphabetic Formula: Al4.07Ca0.73Fe0.03Li0.12Mg0.10Na0.21O10[OH]2Si1.94
  • Published Formula: (Ca0.73Na0.21)(Al2.01Fe0.03Mg0.10Li0.12)Si1.94Al2.06O10(OH)2
  • Refined Formula: Al4Ca0.92H1.98Li0.45O12Si2
  • Wyckoff Sequence: 9,a20
  • Z Formula Units: 4
  • Density: ρ = 3.05 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1002335

  • 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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