Inorganic Solid Phases

Ba11Pd11O20(CO3)2 (Ba11Pd11[CO3]2O20) Crystal Structure

General Information

  • Phase Label(s): Ba11Pd11[CO3]2O20
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cI556
  • Space Group: 229
  • Phase Prototype: Ba11Pd11[CO3]2O20
  • Measurement Detail(s): automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, HRPD (determination of structural parameters), neutrons, time-of-flight (determination of structural parameters), T = 298 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.0590
  • Sample Detail(s): sample prepared from BaCO3, PdO[H2O]x, infrared spectroscopy (IR); presence of CO3 confirmed; small amounts of Pd, powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba11Pd11[CO3]2O20
  • Alphabetic Formula: Ba11[CO3]2O20Pd11
  • Published Formula: Ba11Pd11O20(CO3)2
  • Refined Formula: Ba11C2O26Pd11
  • Wyckoff Sequence: 229,k3j4i2h2fe4d
  • Z Formula Units: 8
  • Density: ρ = 6.62 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
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1252647

  • 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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