Inorganic Solid Phases

bussenite Na2Ba2Fe2+[TiSi2O7][CO3]O(OH)(H2O)F (Na2Ba2TiFe[Si2O7][CO3]O[OH]F[H2O]) Crystal Structure

General Information

  • Phase Label(s): Na2Ba2TiFe[Si2O7][CO3]O[OH]F[H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): bussenite
  • Pearson Symbol: aP50
  • Space Group: 2
  • Phase Prototype: Na2Ba2TiFe[Si2O7][CO3]O2[OH]F[H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydroxide, disilicate, fluoride, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement, R = 0.054
  • Sample Detail(s): bussenite sample from Russia, Kola Peninsula, Khibiny massif, K0.2Na1.95Ba1.27Sr0.32Ca0.21Ti0.95Nb0.05Mn0.38Fe0.68[Si2O7][CO3]O[OH]F, single crystal (determination of cell parameters), single crystal, 0.1×0.15×0.2 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na2Ba2TiFe[Si2O7][CO3]O[OH]F[H2O]
  • Alphabetic Formula: Ba2[CO3]FFe[H2O]Na2O[OH][Si2O7]Ti
  • Published Formula: bussenite Na2Ba2Fe2+[TiSi2O7][CO3]O(OH)(H2O)F
  • Refined Formula: Ba1.27CCa0.21FFe0.68H3K0.20Mn0.38Na1.95Nb0.05O13Si2Sr0.32Ti0.95
  • Wyckoff Sequence: 2,i23fedb
  • Z Formula Units: 2
  • Density: ρ = 4.00 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_1121656

  • 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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