Inorganic Solid Phases

NaCa2Mg4Ga3Si6O22F2 (Na0.6Ca2Mg4.4Ga1.8Si6.8O22F2) Crystal Structure

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General Information

  • Phase Label(s): Na0.6Ca2Mg4.4Ga1.8Si6.8O22F2
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: mS80
  • Space Group: 12
  • Phase Prototype: NaCa2Mg2(Mg0.67Sc0.33)3(Al0.25Si0.75)8O22[OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1700 (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate, fluoride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, RP = 0.084; wRP = 0.114; RB = 0.054
  • Sample Detail(s): sample prepared from CaCO3, MgO, SiO2, CaF2, Na2CO3, Ga2O3, electron microprobe analysis; 41.4 wt.% SiO2, 24.4 wt.% Ga2O3, 17.7 wt.% MgO, 11.4 wt.% CaO, 3.4 wt.% Na2O, 4.4 wt.% F; amounts of gallium sapphirine (10.5 wt.%) and diopside (2.3 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.9Ca1.7Mg4.5Ga2.5Si6.3O22F2
  • Alphabetic Formula: Ca1.7F2Ga2.5Mg4.5Na0.9O22Si6.3
  • Published Formula: NaCa2Mg4Ga3Si6O22F2
  • Refined Formula: Ca1.73F2Ga2.36Mg4.63Na0.86O22Si6.28
  • Wyckoff Sequence: 12,j7i2h2gba
  • Z Formula Units: 2
  • Density: ρ = 3.42 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_1012998

  • 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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