Inorganic Solid Phases

Na0.94Na0.22Ca1.72Mg0.06Mg4.75Al0.05Ga0.20Si7.03Al0.50Ga0.47O22F2 (Na1.16Ca1.72Mg4.81Al0.55Ga0.67Si7.03O22F2) Crystal Structure

General Information

  • Phase Label(s): Na1.16Ca1.72Mg4.81Al0.55Ga0.67Si7.03O22F2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS88
  • Space Group: 12
  • Phase Prototype: Na2.08Mg5.78Al0.12Si8O22F2
  • 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): silicate, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 961 reflections, R = 0.029
  • Sample Detail(s): sample prepared from SiO2, γ-Al2O3, CaF2, NaF, MgO, Ga2O3, electron microprobe analysis; 48.63 wt.% SiO2, 22.33 wt.% MgO, 11.15 wt.% CaO, 7.25 wt.% Ga2O3, 4.40 wt.% F, 4.15 wt.% Na2O, 3.25 wt.% Al2O3, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na1.16Ca1.72Mg4.81Al0.55Ga0.67Si7.03O22F2
  • Alphabetic Formula: Al0.55Ca1.72F2Ga0.67Mg4.81Na1.16O22Si7.03
  • Published Formula: Na0.94Na0.22Ca1.72Mg0.06Mg4.75Al0.05Ga0.20Si7.03Al0.50Ga0.47O22F2
  • Refined Formula: Al0.55Ca1.72F2Ga0.67Mg4.81Na1.16O22Si7.03
  • Wyckoff Sequence: 12,j7i3h2g2ba
  • Z Formula Units: 2
  • Density: ρ = 3.16 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_1818493

  • 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

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