Inorganic Solid Phases

Pb1.13Ba7.87B18O36 (Ba2.62Pb0.38B6O12) Crystal Structure

General Information

  • Phase Label(s): Ba2.62Pb0.38B6O12
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR63
  • Space Group: 155
  • Phase Prototype: Ba2(Ba0.62Pb0.38)B6O12
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 296(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): borate
  • Interpretation Detail(s): complete structure determined; absolute structure determined, full-matrix least-squares refinement on F2; 20 variables; F2 > 2σ(F2), R = 0.0396; wR = 0.1112
  • Sample Detail(s): sample prepared from BaF2, PbO, H3BO3, single crystal (determination of cell parameters), single crystal, 0.10×0.176×0.235 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba2.62Pb0.38B6O12
  • Alphabetic Formula: B6Ba2.62O12Pb0.38
  • Published Formula: Pb1.13Ba7.87B18O36
  • Refined Formula: B6Ba2.62O12Pb0.38
  • Wyckoff Sequence: 155,f3ca
  • Z Formula Units: 3
  • Density: ρ = 4.10 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_1129716

  • 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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