Inorganic Solid Phases

Na0.8Ca2Mg4.2Ga2.4Si6.4O22F2 (Na0.6Ca2Mg4.4Ga1.8Si6.8O22F2) Crystal Structure

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 = 0.079; wRP = 0.107; RB = 0.056
  • Sample Detail(s): sample prepared from CaCO3, MgO, SiO2, CaF2, Na2CO3, Ga2O3, electron microprobe analysis; 42.3 wt.% SiO2, 20.9 wt.% Ga2O3, 18.8 wt.% MgO, 12.0 wt.% CaO, 2.7 wt.% Na2O, 4.0 wt.% F; amounts of gallium sapphirine (4.9 wt.%) and diopside (1.6 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.8Ca1.8Mg4.6Ga2.4Si6.3O22F2
  • Alphabetic Formula: Ca1.8F2Ga2.4Mg4.6Na0.8O22Si6.3
  • Published Formula: Na0.8Ca2Mg4.2Ga2.4Si6.4O22F2
  • Refined Formula: Ca1.76F2Ga2.38Mg4.60Na0.80O22Si6.26
  • Wyckoff Sequence: 12,j7i2h2gba
  • Z Formula Units: 2
  • Density: ρ = 3.41 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

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_1012997

  • 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

    Citation copied