Inorganic Solid Phases

BaFe2+3(Si2Al2)O10(OH)2 1M (BaFe3Al2Si2O10[OH]2 1M) Crystal Structure

General Information

  • Phase Label(s): BaFe3Al2Si2O10[OH]2 1M
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): ferrokinoshitalite
  • Pearson Symbol: mS40
  • Space Group: 12
  • Phase Prototype: KMg3(Al0.25Si0.75)4O10([OH]0.5F0.5)2
  • Measurement Detail(s): automatic diffractometer; 12 (determination of cell parameters), automatic diffractometer (determination of structural parameters), X-rays, Mo Kα1; λ = 0.070930 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 59 variables, R = 0.032; wR = 0.036
  • Sample Detail(s): ferrokinoshitalite sample from South Africa, Northern Cape Province, Aggeneys, Broken Hill mine, electron microprobe analysis; (Ba0.47(3)K0.34(4)Na0.04(1))(Al0.01(0)Ti0.17(2)Fe3+0.15(0)Fe2+1.72(2)Mn0.08(0)Mg0.74(6))(Si2.44(3)Al1.56(4))O10[OH]1.35F0.65, single crystal (determination of cell parameters), single crystal, 0.05×0.35×0.35 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: BaFe3Al2Si2O10[OH]2
  • Alphabetic Formula: Al2BaFe3O10[OH]2Si2
  • Published Formula: BaFe2+3(Si2Al2)O10(OH)2 1M
  • Refined Formula: Al1.56Ba0.47F0.65Fe1.87H1.35K0.34Mg0.75Mn0.09Na0.04O11.35Si2.44Ti0.17
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 4.07 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

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Powder Pattern

published defraction line
d [Å]
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_1230303

  • 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

    Citation copied