Inorganic Solid Phases

Ba2Zn(Ti,Nb)4[Si4O12]2(O,OH)4·7H2O (K0.6Na0.26Ba1.01Ca0.28Zn0.78Ti3NbSi8O26[OH]2[H2O]7.4) Crystal Structure

General Information

  • Phase Label(s): K0.6Na0.26Ba1.01Ca0.28Zn0.78Ti3NbSi8O26[OH]2[H2O]7.4
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): lepkhenelmite-Zn
  • Pearson Symbol: mS128
  • Space Group: 8
  • Phase Prototype: K0.6Na0.26Ba1.01Ca0.28Zn0.78(Ti0.75Nb0.25)4Si8O26[OH]2[H2O]7.4
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Kuma Diffraction KM-4 (determination of structural parameters), X-rays, Cu Kα1; λ = 0.1540562 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; 1040 reflections; I > 2σ(I), R = 0.099; wR = 0.260
  • Sample Detail(s): lepkhenelmite sample from Russia, Kola Peninsula, Lovozero massif, Mt. Lepkhe-Nelm, electron microprobe analysis; (Ba0.92K0.54Ca0.26Na0.24Sr0.22)(Zn0.58Mn2+0.15Fe2+0.04Mg0.01)(Ti2.97Nb1.02)(Si7.89Al0.11)O24[O2.01[OH]1.99][H2O]7.39, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.6Na0.26Ba1.01Ca0.28Zn0.78Ti3NbSi8O26[OH]2[H2O]7.4
  • Alphabetic Formula: Ba1.01Ca0.28[H2O]7.4K0.6Na0.26NbO26[OH]2Si8Ti3Zn0.78
  • Published Formula: Ba2Zn(Ti,Nb)4[Si4O12]2(O,OH)4·7H2O
  • Refined Formula: Ba0.91Ca0.25Fe0.04H12.72K0.54Mg0.02Mn0.15Na0.24NbO34.36Si8Sr0.23Ti3Zn0.58
  • Wyckoff Sequence: 8,b26a12
  • Z Formula Units: 2
  • Density: ρ = 3.07 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1220400

  • 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