Inorganic Solid Phases

β-Ba(OH)2 (Ba[OH]2 rt, p = 4.9(2) GPa) Crystal Structure

General Information

  • Phase Label(s): Ba[OH]2 rt
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP24
  • Space Group: 14
  • Phase Prototype: Ba[OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, SNBL, BM01A (determination of structural parameters), X-rays, synchrotron; λ = 0.08 nm (determination of cell and structural parameters), p = 4.9(2) GPa (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide
  • Interpretation Detail(s): positions of non-H atoms determined; pressure dependence studied, Rietveld refinement, multiphase, RP = 0.0265; wRP = 0.0370
  • Sample Detail(s): sample prepared from Ba[OH]2[H2O]8, amounts of β2-Ba[OH]2 phase, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba[OH]2
  • Alphabetic Formula: Ba[OH]2
  • Published Formula: β-Ba(OH)2
  • Refined Formula: BaH2O2
  • Wyckoff Sequence: 14,e6
  • Z Formula Units: 8
  • Density: ρ = 4.96 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1924972

  • 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