Inorganic Solid Phases

Si6.094Al1.906Al0.372Ti0.066Fe3+0.77Fe2+1.976Mn2+0.078Mg1.742Ca1.930Na0.058Na0.297K0.387F0.27O22(OH)1.73 (K0.06Na2.31Ca0.47Mg2.56Fe1.24Al2.07Si7.14O22[OH]0.84F1.16) Crystal Structure

General Information

  • Phase Label(s): K0.06Na2.31Ca0.47Mg2.56Fe1.24Al2.07Si7.14O22[OH]0.84F1.16
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): fluoro-pargasite/fluoro-richterite
  • Pearson Symbol: mS88
  • Space Group: 12
  • Phase Prototype: Na2.08Mg5.78Al0.12Si8O22F2
  • Measurement Detail(s): automatic diffractometer; 48 (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): hydroxide, silicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 1269 reflections, R = 0.014
  • Sample Detail(s): amphibole group sample from Italy, Alps, Piedmont, Sesia-Lanzo area, electron microprobe analysis; 38.95 wt.% SiO2, 12.35 wt.% Al2O3, 6.61 wt.% Fe2O3, 15.29 wt.% FeO, 7.47 wt.% MgO, 11.51 wt.% CaO, 1.17 wt.% Na2O, 1.94 wt.% K2O et al., single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.4Na2.4Ca1.9Mg1.8Fe2.8Al2.3Si6O22[OH]2.8F0.2
  • Alphabetic Formula: Al2.3Ca1.9F0.2Fe2.8K0.4Mg1.8Na2.4O22[OH]2.8Si6
  • Published Formula: Si6.094Al1.906Al0.372Ti0.066Fe3+0.77Fe2+1.976Mn2+0.078Mg1.742Ca1.930Na0.058Na0.297K0.387F0.27O22(OH)1.73
  • Refined Formula: Al2.30Ca1.94F0.27Fe2.83H1.74K0.38Mg1.79Na2.36O23.73Si6.08
  • Wyckoff Sequence: 12,j7i3h2g2ba
  • Z Formula Units: 2
  • Density: ρ = 3.53 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_1617005

  • 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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