Inorganic Solid Phases

KBa{Na[Na1.2(Fe2+,Mn2+)0.8][Ti(O,OH)2]}{[Si2O7]2Ti2O2} (KNa2.2BaTi3Fe0.8[Si2O7]2O2.8[OH]1.2) Crystal Structure

General Information

  • Phase Label(s): KNa2.2BaTi3Fe0.8[Si2O7]2O2.8[OH]1.2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): barytolamprophyllite
  • Pearson Symbol: mS60
  • Space Group: 12
  • Phase Prototype: Na3Sr2Ti3[Si2O7]2O2(O0.5[OH]0.25F0.25)2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, disilicate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 650 reflections; I > 2σ(I), R = 0.0345
  • Sample Detail(s): barytolamprophyllite sample from Russia, Sakha (Yakutia), Murun massif, electron microprobe analysis; (K0.98Ba0.84Sr0.21)(Na(Na1.2Fe0.41Mn0.42Ca0.27)[TiO2]1.26)([Si2O7]2Ti2O2), twinned crystal (determination of cell parameters), single crystal, 0.1×0.1×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KNa2.2BaTi3Fe0.8[Si2O7]2O2.8[OH]1.2
  • Alphabetic Formula: BaFe0.8KNa2.2O2.8[OH]1.2[Si2O7]2Ti3
  • Published Formula: KBa{Na[Na1.2(Fe2+,Mn2+)0.8][Ti(O,OH)2]}{[Si2O7]2Ti2O2}
  • Refined Formula: BaFe0.80H1.20KNa2.20O18Si4Ti3
  • Wyckoff Sequence: 12,j4i5hba
  • Z Formula Units: 2
  • Density: ρ = 3.54 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_1012957

  • 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