Inorganic Solid Phases

NaMnBa2Ce2(TiO)2[Si4O12]2(F,OH)·H2O (NaBa2Ce2Ti2MnSi8O26[OH]0.27F0.73[H2O]) Crystal Structure

General Information

  • Phase Label(s): NaBa2Ce2Ti2MnSi8O26[OH]0.27F0.73[H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): byelorussite-(Ce)
  • Pearson Symbol: oS176
  • Space Group: 40
  • Phase Prototype: NaBa2Ce2Ti2MnSi8O26([OH]0.27F0.73)[H2O]
  • Measurement Detail(s): automatic diffractometer; Nonius KAPPA (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 213 variables; 4813 reflections; I > 2σ(I), R = 0.033; wR = 0.081
  • Sample Detail(s): byelorussite sample from Belarus, Diabasove, Gutkov area, electron microprobe analysis; (Na0.95K0.12)(Mn2+0.52Zn0.27Fe2+0.16Mg0.05)(Ba1.90Sr0.06)REE2.03Ti2.01Si8.00O26[F0.73[OH]0.27][H2O], single crystal, 0.10×0.14×0.17 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaBa2Ce2Ti2MnSi8O26[OH]0.27F0.73[H2O]
  • Alphabetic Formula: Ba2Ce2F0.73[H2O]MnNaO26[OH]0.27Si8Ti2
  • Published Formula: NaMnBa2Ce2(TiO)2[Si4O12]2(F,OH)·H2O
  • Refined Formula: Ba2Ce2F0.73H2.27MnNaO27.27Si8Ti2
  • Wyckoff Sequence: 40,c18b5a3
  • Z Formula Units: 4
  • Density: ρ = 4.12 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1907219

  • 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