Inorganic Solid Phases

NaBa3(Mn2+,Mn3+)4[Si4O10(OH)2][Si2O7]O2F·H2O (NaBa3Mn4Si4[Si2O7]O12[OH]2F[H2O]) Crystal Structure

General Information

  • Phase Label(s): NaBa3Mn4Si4[Si2O7]O12[OH]2F[H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP148
  • Space Group: 62
  • Phase Prototype: NaBa3Mn4Si4[Si2O7]O12[OH]2F[H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, disilicate, silicate, fluoride, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, 964 reflections; I > 1.96(I), R = 0.065
  • Sample Detail(s): sample from Far East, Ir-Nimiiskii deposit, X-ray fluorescence spectroscopy; 36.73 wt.% BaO, 32.09 wt.% SiO2, 13.22 wt.% MnO, 10.84 wt.% Mn2O3, 3.12 wt.% Na2O, 2.40 wt.% H2O, single crystal (determination of cell parameters), single crystal, 0.100×0.100×0.125 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaBa3Mn4Si4[Si2O7]O12[OH]2F[H2O]
  • Alphabetic Formula: Ba3F[H2O]Mn4NaO12[OH]2Si4[Si2O7]
  • Published Formula: NaBa3(Mn2+,Mn3+)4[Si4O10(OH)2][Si2O7]O2F·H2O
  • Refined Formula: Ba3FH4Mn4NaO22Si6
  • Wyckoff Sequence: 62,d14c9
  • Z Formula Units: 4
  • Density: ρ = 3.86 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1610646

  • 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