Inorganic Solid Phases

Ba5[(Ge,C)(O,OH)4]3(OH), Ge:C= 1 (H1.5Ba5Ge1.5C1.5O12[OH]) Crystal Structure

General Information

  • Phase Label(s): H1.5Ba5Ge1.5C1.5O12[OH]
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP42
  • Space Group: 173
  • Phase Prototype: H1.5Ba5(Ge0.5C0.5)3O12[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 369 reflections; F > 0σ(F), R = 0.057
  • Sample Detail(s): sample prepared from Ba[OH]2[H2O]2, GeO2 (α-quartz), NaOH, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: H1.5Ba5Ge1.5C1.5O12[OH]
  • Alphabetic Formula: Ba5C1.5Ge1.5H1.5O12[OH]
  • Published Formula: Ba5[(Ge,C)(O,OH)4]3(OH), Ge:C= 1
  • Refined Formula: Ba5C1.50Ge1.50H2.50O13
  • Wyckoff Sequence: 173,c6b2a
  • Z Formula Units: 2
  • Density: ρ = 4.87 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1801539

  • 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)

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