Inorganic Solid Phases

Ba4Mn2NaO9 (Na3Ba12Mn6O27) Crystal Structure

General Information

  • Phase Label(s): Na3Ba12Mn6O27
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP48
  • Space Group: 150
  • Phase Prototype: NaBa4Mn2O9
  • Measurement Detail(s): automatic diffractometer; Bruker-Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined; twinning mechanism studied, full-matrix least-squares refinement on F; 51 variables; 865 reflections; I > 4σ(I), R = 0.0321; wR = 0.0352
  • Sample Detail(s): sample prepared from NaOH, Ba[OH]2[H2O]3, V2O5, Bi2O3, MnO2, energy-dispersive X-ray analysis; no V, Bi detected, twinned crystal, 0.040×0.050×0.070 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaBa4Mn2O9
  • Alphabetic Formula: Ba4Mn2NaO9
  • Published Formula: Ba4Mn2NaO9
  • Refined Formula: Ba4Mn2NaO9
  • Wyckoff Sequence: 150,g5fe2d3cb
  • Z Formula Units: 3
  • Density: ρ = 5.77 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1906666

  • 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