Inorganic Solid Phases

(Ca1.46Na0.42)(Al4.01Fe0.06Mg0.20Li0.23)(Si3.87Al4.13)O20(OH)4 (Li0.3Ca0.75Mg0.10Al4[SiO4]2O2[OH]2) Crystal Structure

General Information

  • Phase Label(s): Li0.3Ca0.75Mg0.10Al4[SiO4]2O2[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; France, Grenoble, Institut Laue-Langevin ILL, D8 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell parameters), neutrons; λ = 0.12686 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthosilicate, oxide
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1003 reflections; F2 > 2σ(F2), R = 0.017
  • Sample Detail(s): margarite sample from Austria, Tyrol, Zillertal, Greiner, chemical analysis; (Ca1.46Na0.42)(Al4.01Fe0.06Mg0.20Li0.23)(Si3.87Al4.13)O20[OH]4, single crystal (determination of cell parameters), single crystal, 1.66 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Li0.3Ca0.75Mg0.10Al4[SiO4]2O2[OH]2
  • Alphabetic Formula: Al4Ca0.75Li0.3Mg0.10O2[OH]2[SiO4]2
  • Published Formula: (Ca1.46Na0.42)(Al4.01Fe0.06Mg0.20Li0.23)(Si3.87Al4.13)O20(OH)4
  • Refined Formula: Al4CaH1.98Li0.11Mg0.10O12Si2
  • Wyckoff Sequence: 9,a20
  • Z Formula Units: 4
  • Density: ρ = 3.03 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

Displacement Parameters

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1001782

  • 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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