Inorganic Solid Phases

(Ba,K)(K,Na)Na(Ti,Fe,Nb,Zr)2Si4O14; (Ba0.6K0.4)(K0.7Na0.3)Na(Ti0.72Fe0.16Nb0.06Zr0.06)2Si4O14 (K1.1Na1.3Ba0.6Zr0.12Ti1.44Nb0.12Fe0.32[Si2O7]2) Crystal Structure

General Information

  • Phase Label(s): K1.1Na1.3Ba0.6Zr0.12Ti1.44Nb0.12Fe0.32[Si2O7]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): batisite
  • Pearson Symbol: oI92
  • Space Group: 74
  • Phase Prototype: (K0.7Na0.3)NaBa(Zr0.05Ti0.75Nb0.1Fe0.1)2[Si2O7]2
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): disilicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1442 reflections; I > 2σ(I), R = 0.044
  • Sample Detail(s): batisite sample from Germany, Rhineland-Palatinate, Eifel, electron microprobe analysis; (Ba0.6K0.4)(K0.7Na0.3)Na(Ti0.72Fe0.16Nb0.06Zr0.06)2Si4O14, single crystal (determination of cell parameters), single crystal, 0.032×0.175×0.226 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K1.1Na1.3Ba0.6Zr0.12Ti1.44Nb0.12Fe0.32[Si2O7]2
  • Alphabetic Formula: Ba0.6Fe0.32K1.1Na1.3Nb0.12[Si2O7]2Ti1.44Zr0.12
  • Published Formula: (Ba,K)(K,Na)Na(Ti,Fe,Nb,Zr)2Si4O14; (Ba0.6K0.4)(K0.7Na0.3)Na(Ti0.72Fe0.16Nb0.06Zr0.06)2Si4O14
  • Refined Formula: Ba0.63Fe0.32K1.07Na1.30Nb0.12O14Si4Ti1.44Zr0.12
  • Wyckoff Sequence: 74,j3ihge4a
  • Z Formula Units: 4
  • Density: ρ = 3.38 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1624212

  • 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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