Inorganic Solid Phases

Na0.808Ca2.073Mg0.155(Mg4.062Al0.938)(Si5.800Al2.200)O22F2 (NaCa1.75Mg5Al0.5Si7.5O22F2) Crystal Structure

General Information

  • Phase Label(s): NaCa1.75Mg5Al0.5Si7.5O22F2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): fluoro-edenite/fluoropargasite
  • Pearson Symbol: mS88
  • Space Group: 12
  • Phase Prototype: Na2.08Mg5.78Al0.12Si8O22F2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1085 reflections; F > 5σ(F), R = 0.012
  • Sample Detail(s): fluorpargasite sample from synthetic, sample prepared from SiO2, γ-Al2O3, CaF2, Na2CO3, MgO, electron microprobe analysis; Na0.808Ca2.228Mg4.217Al0.938(Si5.800Al2.200)O22F2, single crystal (determination of cell parameters), single crystal, 0.12×0.14×0.26 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.808Ca2.073Mg4.217Al3.138Si5.8O22F2
  • Alphabetic Formula: Al3.138Ca2.073F2Mg4.217Na0.808O22Si5.8
  • Published Formula: Na0.808Ca2.073Mg0.155(Mg4.062Al0.938)(Si5.800Al2.200)O22F2
  • Refined Formula: Al3.14Ca2.07F2Mg4.22Na0.81O22Si5.80
  • Wyckoff Sequence: 12,j7i3h3g2a
  • Z Formula Units: 2
  • Density: ρ = 3.12 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_1014106

  • 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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