Inorganic Solid Phases

Ba4YMn3O10.7, 6H-phase (Ba3Y0.75Mn2.25O8.03) Crystal Structure

General Information

  • Phase Label(s): Ba3Y0.75Mn2.25O8.03
  • Structure Class(es): perovskite
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP46
  • Space Group: 194
  • Phase Prototype: Ba3(Y0.75Mn0.25)Mn2O8.03
  • 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)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, wRP = 0.0543; RB = 0.0072
  • Sample Detail(s): sample prepared from 12R-type Ba4YMn3O11.5, amounts of second 6H-phase (4 wt.%), powder (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba3Y0.75Mn2.25O8.03
  • Alphabetic Formula: Ba3Mn2.25O8.03Y0.75
  • Published Formula: Ba4YMn3O10.7, 6H-phase
  • Refined Formula: Ba3Mn2.27O8.06Y0.73
  • Wyckoff Sequence: 194,k2hf3ba
  • Z Formula Units: 2
  • Density: ρ = 5.89 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_1022115

  • 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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