Inorganic Solid Phases

[(Na0.7Ca0.7)(Sr0.7Na0.3)][(H3O)2K1]{[Ba0.2][Zn1.64(Mn,Fe)0.18(H2O)3.64]}[Ti5.68Nb2.32(O5.18(OH)2.82)][Si4O12]4·3.3H2O (K0.5Na0.5[H3O]Sr0.35Ca0.35Zn0.8Ti2.85Nb1.15Si8O26.5[OH]1.4[H2O]3.45) Crystal Structure

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General Information

  • Phase Label(s): K0.5Na0.5[H3O]Sr0.35Ca0.35Zn0.8Ti2.85Nb1.15Si8O26.5[OH]1.4[H2O]3.45
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): labuntsovite-Zn [not IMA]
  • Pearson Symbol: mS102
  • Space Group: 8
  • Phase Prototype: K2.3Na1.2[H3O]0.4Ba0.2Mg0.2(Ti0.6Nb0.4)4Fe0.3Si8O26.9[OH]1.1[H2O]2.6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Syntex P21 (determination of structural parameters), X-rays, Cu Kα; λ = 0.15418 nm (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 1523 reflections; F > 4σ(F), R = 0.058
  • Sample Detail(s): labuntsovite sample from Russia, Kola Peninsula, Lovozero massif, Mt. Lepkhe-Nelm, electron microprobe analysis; K0.9−1.4Na1.0−1.6Ca0.6−1.0Sr0.6−1.0Ba0.2−0.9Zn1.81Mn0.1Fe0.07(Ti5.64Nb2.3Zr0.02)[(Si15.6Al0.4)O48](O4.58[OH]3.42)[H2O]12.2, twinned crystal (determination of cell parameters), twinned crystal, 0.1×0.15×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.5Na0.5[H3O]Sr0.35Ca0.35Zn0.8Ti2.85Nb1.15Si8O26.5[OH]1.4[H2O]3.45
  • Alphabetic Formula: Ca0.35[H2O]3.45[H3O]K0.5Na0.5Nb1.15O26.5[OH]1.4Si8Sr0.35Ti2.85Zn0.8
  • Published Formula: [(Na0.7Ca0.7)(Sr0.7Na0.3)][(H3O)2K1]{[Ba0.2][Zn1.64(Mn,Fe)0.18(H2O)3.64]}[Ti5.68Nb2.32(O5.18(OH)2.82)][Si4O12]4·3.3H2O
  • Refined Formula: Ba0.10Ca0.35Fe0.05H9.89K0.50Mn0.05Na0.50Nb1.20O32.46Si8Sr0.35Ti2.80Zn0.82
  • Wyckoff Sequence: 8,b21a9
  • Z Formula Units: 2
  • Density: ρ = 2.67 Mg·m−3
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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_1214007

  • 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)

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