Inorganic Solid Phases

[Ba1.44Na1K0.8Ca0.76][Si2O7]4[Ti2][Ti1.6Nb0.2Zr0.2][Fe6Mn1.5Mg0.5]O2(OH)8F2 (K0.8Na1.2Ba1.3Ca0.7Ti4Fe8[Si2O7]4O2[OH]8F2) Crystal Structure

General Information

  • Phase Label(s): K0.8Na1.2Ba1.3Ca0.7Ti4Fe8[Si2O7]4O2[OH]8F2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): jinshajiangite
  • Pearson Symbol: mP64
  • Space Group: 10
  • Phase Prototype: K0.8Na1.2Ba1.3Ca0.7Ti4Fe8[Si2O7]4O2[OH]8F2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur S (determination of structural parameters), X-rays, Mo Kα; λ = 0.07106 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, disilicate, fluoride, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 668 reflections; F > 2σ(F), R = 0.067
  • Sample Detail(s): jinshajiangite sample from Sweden, Smaland, Norra Kärr complex, sample prepared from jinshajiangite, electron microprobe analysis; Na1.0−1.5Ca0.7−0.85Ba1.1−1.4K0.7−0.9(Fe5.7−6.2Mn1.2−1.6Mg0.1−0.5)(Ti3.3−4.0Nb0−0.4Zr0−0.4)(Si7.7−8.0Al0−0.3)O32F2[OH,O]4, single crystal (determination of cell parameters), single crystal, 0.03×0.1×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.8Na1.2Ba1.3Ca0.7Ti4Fe8[Si2O7]4O2[OH]8F2
  • Alphabetic Formula: Ba1.3Ca0.7F2Fe8K0.8Na1.2O2[OH]8[Si2O7]4Ti4
  • Published Formula: [Ba1.44Na1K0.8Ca0.76][Si2O7]4[Ti2][Ti1.6Nb0.2Zr0.2][Fe6Mn1.5Mg0.5]O2(OH)8F2
  • Refined Formula: Ba1.44Ca0.76F2Fe6K0.80Mg0.50Mn1.50NaNb0.20O38Si8Ti3.60Zr0.20
  • Wyckoff Sequence: 10,o9n5m5hgfedcba
  • Z Formula Units: 1
  • Density: ρ = 3.88 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_1603201

  • 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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