Inorganic Solid Phases

(K,Ba,Na,Ca)8(Ti,Nb)9(O,OH)10[Si4O12]4·nH2O (K4Na2Ba1.5Ca0.5Ti4.5Nb0.2Si8O27[OH]7[H2O]3.4) Crystal Structure

General Information

  • Phase Label(s): K4Na2Ba1.5Ca0.5Ti4.5Nb0.2Si8O27[OH]7[H2O]3.4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): lemmleinite-Ba
  • Pearson Symbol: mS114
  • Space Group: 12
  • Phase Prototype: K4Na2BaCaTi4.5Nb0.2Si8O27[OH]7[H2O]3.4
  • Measurement Detail(s): Weissenberg photographs (determination of cell and 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 atoms in average structure determined, least-squares refinement, R = 0.132
  • Sample Detail(s): labuntsovite sample from Russia, Kola Peninsula, (K0.43Na0.29Ba0.16Ca0.06Mn0.09)(Ti0.89Nb0.03Fe0.05Mg0.03)[Si1.83Al0.07O5.79[OH]1.21][H2O]0.6, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K4Na2Ba1.5Ca0.5Ti4.5Nb0.2Si8O27[OH]7[H2O]3.4
  • Alphabetic Formula: Ba1.5Ca0.5[H2O]3.4K4Na2Nb0.2O27[OH]7Si8Ti4.5
  • Published Formula: (K,Ba,Na,Ca)8(Ti,Nb)9(O,OH)10[Si4O12]4·nH2O
  • Refined Formula: H6.88K3.30Na1.36O31.44Si8Ti4.61
  • Wyckoff Sequence: 12,j11i4gea
  • Z Formula Units: 2
  • Density: ρ = 3.72 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1322363

  • 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