Inorganic Solid Phases

Na4(K3.60.4)K3.2[Ti6.4Nb1.6(O,OH)8][Mn0.4(H2O)0.8][Si4O12]4·8H2O (K3.4Na2Ti3.2Nb0.8Mn0.2Si8O26.6[OH]1.4[H2O]4.4) Crystal Structure

General Information

  • Phase Label(s): K3.4Na2Ti3.2Nb0.8Mn0.2Si8O26.6[OH]1.4[H2O]4.4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): labuntsovite-Mn
  • Pearson Symbol: mS106
  • Space Group: 12
  • Phase Prototype: K3.4Na2(Ti0.8Nb0.2)4Mn0.2Si8O26.6[OH]1.4[H2O]4.4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, full-matrix least-squares refinement; 1085 reflections; F > 3σ(F), R = 0.036
  • Sample Detail(s): labuntsovite sample from Russia, Kola Peninsula, Khibiny massif, Mt. Koashva, sample prepared from labuntsovite, electron microprobe analysis; Na4(K3.60.4)K3.2(Ti6.4Nb1.6[O,OH]8)(Mn0.4[H2O]0.8)[Si4O12]4[H2O]8, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K3.4Na2Ti3.2Nb0.8Mn0.2Si8O26.6[OH]1.4[H2O]4.4
  • Alphabetic Formula: [H2O]4.4K3.4Mn0.2Na2Nb0.8O26.6[OH]1.4Si8Ti3.2
  • Published Formula: Na4(K3.60.4)K3.2[Ti6.4Nb1.6(O,OH)8][Mn0.4(H2O)0.8][Si4O12]4·8H2O
  • Refined Formula: H10.20K3.38Mn0.18Na1.96Nb0.80O32.40Si8Ti3.20
  • Wyckoff Sequence: 12,j9i4h2gea
  • Z Formula Units: 2
  • Density: ρ = 2.79 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_1602062

  • 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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