Inorganic Solid Phases

Pu2[B12O18(OH)4Br2(H2O)3]·0.5H2O; B24 Br4 O51 Pu4 (PuB6BrO9[OH]2[H2O]1.75) Crystal Structure

General Information

  • Phase Label(s): PuB6BrO9[OH]2[H2O]1.75
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP88
  • Space Group: 7
  • Phase Prototype: PuB6BrO9[OH]2[H2O]1.75
  • Measurement Detail(s): automatic diffractometer; 5260 (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, borate, bromide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined; absolute structure determined, full-matrix least-squares refinement on F2; 204 variables; 4529 reflections; I > 2σ(I), R = 0.0334; wR = 0.0653
  • Sample Detail(s): sample prepared from Pu[NO3]6, HBr, H3BO3, single crystal (determination of cell parameters), single crystal, 0.002×0.02×0.03 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: PuB6BrO9[OH]2[H2O]1.75
  • Alphabetic Formula: B6Br[H2O]1.75O9[OH]2Pu
  • Published Formula: Pu2[B12O18(OH)4Br2(H2O)3]·0.5H2O; B24 Br4 O51 Pu4
  • Refined Formula: B6BrH4.50O12.75Pu
  • Wyckoff Sequence: 7,a44
  • Z Formula Units: 4
  • Density: ρ = 3.41 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_1632909

  • 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