Inorganic Solid Phases

Ba{Mn2(OH)}{TiO(OH)[Si2O7]}, II (BaTiMn2[Si2O7]O[OH]2) Crystal Structure

General Information

  • Phase Label(s): BaTiMn2[Si2O7]O[OH]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): hejtmanite
  • Pearson Symbol: mS128
  • Space Group: 8
  • Phase Prototype: BaTiFe2[Si2O7]O[OH]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, least-squares refinement; 1255 reflections; I > 2σ(I), R = 0.083
  • Sample Detail(s): bafertisite sample from Kyrgyzstan, Tien-Shan, Inyl'chek Mountains, two-phase sample, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: BaTiMn2[Si2O7]O[OH]2
  • Alphabetic Formula: BaMn2O[OH]2[Si2O7]Ti
  • Published Formula: Ba{Mn2(OH)}{TiO(OH)[Si2O7]}, II
  • Refined Formula: BaH2Mn2O10Si2Ti
  • Wyckoff Sequence: 8,b25a14
  • Z Formula Units: 8
  • Density: ρ = 4.23 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_1610552

  • 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)

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