Inorganic Solid Phases

(K0.66Na0.32)(Ca1.73Na0.23Mn0.04)(Mg0.55Fe2+2.16Mn0.25Fe3+1.11Al0.78Ti0.19)(Si5.33Al2.67)O22[(OH)1.21F0.41O0.38] (K0.62Na0.59Ca1.72Mg0.56Fe3.88Al3.48Si5.24O22[OH]1.7F0.3) Crystal Structure

General Information

  • Phase Label(s): K0.62Na0.59Ca1.72Mg0.56Fe3.88Al3.48Si5.24O22[OH]1.7F0.3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): potassic-ferrisadanagaite
  • Pearson Symbol: mS90
  • Space Group: 12
  • Phase Prototype: K0.67Na2.22Li0.29Ti0.05Mn0.19Fe4.71Si7.87O22[OH]1.81F0.19
  • Measurement Detail(s): automatic diffractometer; STOE STADI P (determination of structural parameters), X-rays, Mo Kα1; λ = 0.070926 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 74 variables; 1160 reflections, R = 0.0258; RP = 0.0349; wRP = 0.0484; RB = 0.0256
  • Sample Detail(s): potassic-ferrisadanagaite sample from Russia, Urals, Ilmen Mountains, chemical analysis, Mössbauer spectroscopy; (Si5.33Al2.67)(Al0.78Ti0.19Fe3+1.11Fe2+2.16Mn0.25Mg0.55)(Ca1.73Na0.23)(Na0.32K0.66)[OH1.21F0.41O0.38]O22, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.68Na0.56Ca1.76Mg0.62Fe3.6Al3.45Si5.33O22[OH]1.5F0.5
  • Alphabetic Formula: Al3.45Ca1.76F0.5Fe3.6K0.68Mg0.62Na0.56O22[OH]1.5Si5.33
  • Published Formula: (K0.66Na0.32)(Ca1.73Na0.23Mn0.04)(Mg0.55Fe2+2.16Mn0.25Fe3+1.11Al0.78Ti0.19)(Si5.33Al2.67)O22[(OH)1.21F0.41O0.38]
  • Refined Formula: Al3.59Ca1.73F0.50Fe3.22H1.50K0.66Mg0.60Mn0.25Na0.55O23.50Si5.19Ti0.19
  • Wyckoff Sequence: 12,j7i2h2gba
  • Z Formula Units: 2
  • Density: ρ = 3.41 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_1020138

  • 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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