Inorganic Solid Phases

Ba10Re3O19(OH)3 (Ba10Re3O19[OH]3) Crystal Structure

General Information

  • Phase Label(s): Ba10Re3O19[OH]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS70
  • Space Group: 12
  • Phase Prototype: Ba10Re3O18(O0.25[OH]0.75)4
  • Measurement Detail(s): automatic diffractometer; 6763 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 98 variables; 2576 reflections; I > 2σ(I), R = 0.0269; wR = 0.0583
  • Sample Detail(s): sample prepared from Ba[OH]2[H2O]8, NH4ReO4, amounts of Ba16Re6O37, single crystal (determination of cell parameters), single crystal, 0.03×0.05×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba10Re3O19[OH]3
  • Alphabetic Formula: Ba10O19[OH]3Re3
  • Published Formula: Ba10Re3O19(OH)3
  • Refined Formula: Ba10H3O22Re3
  • Wyckoff Sequence: 12,j3i11a
  • Z Formula Units: 2
  • Density: ρ = 6.40 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_1932937

  • 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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