Inorganic Solid Phases

BaC2O4·0.5H2O (Ba2[C2O4]2[H2O]) Crystal Structure

General Information

  • Phase Label(s): Ba2[C2O4]2[H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP30
  • Space Group: 2
  • Phase Prototype: Ba2[C2O4]2[H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, National Synchrotron Light Source, X7A (determination of structural parameters), X-rays, synchrotron; λ = 0.13150 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxalate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement
  • Sample Detail(s): sample prepared from BaCl2[H2O]2, [NH4]2C2O4[H2O], powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ba2[C2O4]2[H2O]
  • Alphabetic Formula: Ba2[C2O4]2[H2O]
  • Published Formula: BaC2O4·0.5H2O
  • Refined Formula: Ba2C4H2O9
  • Wyckoff Sequence: 2,i15
  • Z Formula Units: 2
  • Density: ρ = 3.47 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_1413189

  • 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