Inorganic Solid Phases

Ba2Mn2TiO(Si2O7)(PO4)(OH) (Ba2Ti0.8Mn2Fe0.2[SiO4]0.15[Si2O7][PO4]0.5[SO4]0.35O[OH]) Crystal Structure

General Information

  • Phase Label(s): Ba2Ti0.8Mn2Fe0.2[SiO4]0.15[Si2O7][PO4]0.5[SO4]0.35O[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): yoshimuraite
  • Pearson Symbol: aP42
  • Space Group: 2
  • Phase Prototype: Ba2Ti0.8Mn2Fe0.2[SiO4]0.2[Si2O7][PO4]0.5[SO4]0.3O[OH]
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Nicolet R3m (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, sulfate, orthosilicate, disilicate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, 1842 reflections; F > 6σ(F), R = 0.030; wR = 0.041
  • Sample Detail(s): yoshimuraite sample from Japan, Aichi Prefecture, Taguchi mine, single crystal (determination of cell parameters), single crystal, 0.04×0.06×0.09 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba2Ti0.8Mn2Fe0.2[SiO4]0.15[Si2O7][PO4]0.5[SO4]0.35O[OH]
  • Alphabetic Formula: Ba2Fe0.2Mn2O[OH][PO4]0.5[SO4]0.35[SiO4]0.15[Si2O7]Ti0.8
  • Published Formula: Ba2Mn2TiO(Si2O7)(PO4)(OH)
  • Refined Formula: Ba2Fe0.31HMn2O13P0.50S0.30Si2.20Ti0.69
  • Wyckoff Sequence: 2,i20hf
  • Z Formula Units: 2
  • Density: ρ = 4.39 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1014060

  • 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