Inorganic Solid Phases

(Na0.31K0.62)(Ca1.72Na0.28)(Mg0.56Fe2+2.12Mn2+0.26Zn0.02Al0.72Fe3+1.07Ti4+0.21)(Si5.24Al2.76)O22[(OH)1.70F0.30] (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-ferro-ferri-sadanagaite
  • 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 (determination of cell and 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, least-squares refinement; 1159 reflections; F > 4σ(F), R = 0.026; wR = 0.054
  • Sample Detail(s): potassic-ferrisadanagaite sample from Russia, Urals, Ilmen Mountains, electron microprobe analysis; (Na0.31K0.62)(Ca1.72Na0.28)(Mg0.56Fe2+2.12Mn2+0.26Zn0.02Al0.72Fe3+1.07Ti4+0.21)(Si5.24Al2.76)O22([OH]1.70F0.30), single crystal (determination of cell parameters), single crystal, 0.05×0.11×0.11 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.62Na0.59Ca1.72Mg0.56Fe3.88Al3.48Si5.24O22[OH]1.7F0.3
  • Alphabetic Formula: Al3.48Ca1.72F0.3Fe3.88K0.62Mg0.56Na0.59O22[OH]1.7Si5.24
  • Published Formula: (Na0.31K0.62)(Ca1.72Na0.28)(Mg0.56Fe2+2.12Mn2+0.26Zn0.02Al0.72Fe3+1.07Ti4+0.21)(Si5.24Al2.76)O22[(OH)1.70F0.30]
  • Refined Formula: Al3.62Ca1.72F0.30Fe3.11H1.70K0.62Mg0.68Mn0.26Na0.60O23.70Si5.10Ti0.21Zn0.02
  • Wyckoff Sequence: 12,j7i4h2g2b
  • Z Formula Units: 2
  • Density: ρ = 3.44 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_1221705

  • 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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