Inorganic Solid Phases

fluoro-edenite (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/fluoro-pargasite
  • Pearson Symbol: mS88
  • Space Group: 12
  • Phase Prototype: Na2.08Mg5.78Al0.12Si8O22F2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, POLARIS (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, fluoride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 64 variables, RP = 0.021; wRP = 0.014
  • Sample Detail(s): edenite sample from synthetic, sample prepared from CaF2, electron microprobe analysis; Si7.04(3)Al1.04(5)Mg4.89(6)Ca1.99(4)Na1.02(3)O22F2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: NaCa2Mg5AlSi7O22F2
  • Alphabetic Formula: AlCa2F2Mg5NaO22Si7
  • Published Formula: fluoro-edenite
  • Refined Formula: Al0.84Ca2F2Mg5NaO22Si7.16
  • Wyckoff Sequence: 12,j7i2h2gba
  • Z Formula Units: 2
  • Density: ρ = 3.08 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
U [nm2]
Type
Computed
Beq [nm2]

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_1601670

  • 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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