Inorganic Solid Phases

(K,Ba)1−xM21O38; (K0.351Ba0.307Ca0.130TR0.081)Zr0.682Mg1.217Al0.158Fe3+2.419Cr3.890Ti12.254O38 (K0.4Ba0.3Ca0.1Mg1.3Zr0.7Ti12.4Cr3.9Fe2.5Al0.2O38) Crystal Structure

General Information

  • Phase Label(s): K0.4Ba0.3Ca0.1Mg1.3Zr0.7Ti12.4Cr3.9Fe2.5Al0.2O38
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): mathiasite
  • Pearson Symbol: hR180
  • Space Group: 148
  • Phase Prototype: Ti12(Ti0.33Fe0.67)6MnFe2PbO38
  • Measurement Detail(s): Guinier-Hägg film (determination of cell and structural parameters), X-rays, Cu Kα1 (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement
  • Sample Detail(s): mathiasite sample from China, Shangdong Province, Yimeng region, electron microprobe analysis; (K0.351Ba0.310Ca0.131)Zr0.992Mg1.332Fe2.025Cr2.998Ti14.965O38, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.4Ba0.3Ca0.1Mg1.3Zr0.7Ti12.4Cr3.9Fe2.5Al0.2O38
  • Alphabetic Formula: Al0.2Ba0.3Ca0.1Cr3.9Fe2.5K0.4Mg1.3O38Ti12.4Zr0.7
  • Published Formula: (K,Ba)1−xM21O38; (K0.351Ba0.307Ca0.130TR0.081)Zr0.682Mg1.217Al0.158Fe3+2.419Cr3.890Ti12.254O38
  • Refined Formula: Ba0.39Ca0.13Cr3.81Fe2.42K0.35Mg1.82O38Ti12.27Zr0.68
  • Wyckoff Sequence: 148,f9c2ba
  • Z Formula Units: 3
  • Density: ρ = 4.38 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

Powder Pattern

published defraction line
2θ [°]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1818311

  • 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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