Inorganic Solid Phases

4(K2.9Na0.30.8)[(H2O)3.3K0.7(Mn2+1.3Mg0.2Fe2+0.120.35)](Ti6.8Nb1.0Fe3+0.2O8)(Si4O12)4·8H2O (K1.8Na0.15Mg0.1Ti3.5Nb0.5Mn0.65Fe0.15Si8O28[H2O]5.65) Crystal Structure

General Information

  • Phase Label(s): K1.8Na0.15Mg0.1Ti3.5Nb0.5Mn0.65Fe0.15Si8O28[H2O]5.65
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): labuntsovite-Mn
  • Pearson Symbol: mS114
  • Space Group: 12
  • Phase Prototype: K1.8Na0.15Mg0.1Ti3.5Nb0.5Mn0.65Fe0.15Si8O28[H2O]5.65
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Kuma Diffraction KM-4 (determination of structural parameters), X-rays, Mo Kα1; λ = 0.070926 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1161 reflections; F > 4σ(F), R = 0.041
  • Sample Detail(s): labuntsovite sample from Russia, Kola Peninsula, Lovozero massif, electron microprobe analysis; Na0.3K3.2Ba0.2Ti6.8Nb1.0Fe0.35Mn1.3Mg0.2[Si4O12]4O8[H2O]11.3, single crystal (determination of cell parameters), single crystal, 0.05×0.15×0.20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K1.8Na0.15Mg0.1Ti3.5Nb0.5Mn0.65Fe0.15Si8O28[H2O]5.65
  • Alphabetic Formula: Fe0.15[H2O]5.65K1.8Mg0.1Mn0.65Na0.15Nb0.5O28Si8Ti3.5
  • Published Formula: 4(K2.9Na0.30.8)[(H2O)3.3K0.7(Mn2+1.3Mg0.2Fe2+0.120.35)](Ti6.8Nb1.0Fe3+0.2O8)(Si4O12)4·8H2O
  • Refined Formula: H11.30K1.80Mn0.80Na0.15Nb0.50O33.65Si8Ti3.50
  • Wyckoff Sequence: 12,j10i3h2g2ea
  • Z Formula Units: 2
  • Density: ρ = 2.65 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_1217242

  • 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