Inorganic Solid Phases

NaCa2Mg5(Si7Al)O22F2 (K0.16Na0.81Ca1.5Mg4.38Mn0.06Fe0.5Al0.58Si7.52O22F2) Crystal Structure

General Information

  • Phase Label(s): K0.16Na0.81Ca1.5Mg4.38Mn0.06Fe0.5Al0.58Si7.52O22F2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): fluoro-edenite
  • Pearson Symbol: mS84
  • Space Group: 12
  • Phase Prototype: K0.3Na1.3Ca1.4Mg4.5Fe0.5(Al0.05Si0.95)8O22([OH]0.4F0.6)2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens D5005 (determination of structural parameters), X-rays, Cu Kα1; λ = 0.1540598 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, fluoride
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase; 99 variables, RP = 0.0514; wRP = 0.0678
  • Sample Detail(s): fluoro-edenite sample from Italy, Sicily, Etna area, Biancavilla, Monte Calvario, electron microprobe analysis, Mössbauer spectroscopy; Si7.52Al0.48Al0.104Fe3+0.333Fe2+0.162Mg4.255Ti0.062Mn0.063Ca1.505Na0.495Na0.307K0.157F1.970Cl0.020; amounts of albite (7.6 wt.%), powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.16Na0.81Ca1.5Mg4.38Mn0.06Fe0.5Al0.58Si7.52O22F2
  • Alphabetic Formula: Al0.58Ca1.5F2Fe0.5K0.16Mg4.38Mn0.06Na0.81O22Si7.52
  • Published Formula: NaCa2Mg5(Si7Al)O22F2
  • Refined Formula: Al0.58Ca1.51Cl0.02F1.98Fe0.50K0.16Mg4.27Mn0.06Na0.80O22Si7.52Ti0.06
  • Wyckoff Sequence: 12,j7i3h2gba
  • Z Formula Units: 2
  • Density: ρ = 3.09 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1217138

  • 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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