Inorganic Solid Phases

Na2.06K3.58Ba1.65(H2O)1.58Mn0.42Mg0.20Fe0.16Ti6.75Nb0.65((OH)0.9O0.1)8(Si4O12)4·11.5H2O (K3.6Na2.1Ba1.7Mg0.2Ti7.4Mn0.6Si16O48[OH]8[H2O]13.1) Crystal Structure

General Information

  • Phase Label(s): K3.6Na2.1Ba1.7Mg0.2Ti7.4Mn0.6Si16O48[OH]8[H2O]13.1
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): labuntsovite-Mn
  • Pearson Symbol: mS256
  • Space Group: 12
  • Phase Prototype: K3.6Na2.1Ba1.7Mg0.2Ti7.4Mn0.6Si16O48[OH]8[H2O]13.1
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS II (determination of structural parameters), X-rays (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; 3349 reflections; F > 4σ(F), R = 0.049; wR = 0.143
  • Sample Detail(s): labuntsovite sample from Russia, Kola Peninsula, electron microprobe analysis; 6.96 wt.% K2O, 2.64 wt.% Na2O, 10.42 wt.% BaO, 0.48 wt.% FeO, 0.34 wt.% MgO, 1.24 wt.% MnO, 22.26 wt.% TiO2, 3.59 wt.% Nb2O5, 39.68 wt.% SiO2, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K3.6Na2.1Ba1.7Mg0.2Ti7.4Mn0.6Si16O48[OH]8[H2O]13.1
  • Alphabetic Formula: Ba1.7[H2O]13.1K3.6Mg0.2Mn0.6Na2.1O48[OH]8Si16Ti7.4
  • Published Formula: Na2.06K3.58Ba1.65(H2O)1.58Mn0.42Mg0.20Fe0.16Ti6.75Nb0.65((OH)0.9O0.1)8(Si4O12)4·11.5H2O
  • Refined Formula: Ba1.78H35.20K3.70Mg0.20Mn0.64Na2.32O71.20Si16Ti8
  • Wyckoff Sequence: 12,j26i9hgda
  • Z Formula Units: 2
  • Density: ρ = 2.92 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
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1213487

  • 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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