Inorganic Solid Phases

K(Zr0.8Fe3+0.6Ti0.4Fe2+0.2)(Li2.55Al0.15)Si12O30(Na0.95K0.05) (KNa0.48Li3Zr1.18Ti0.24Fe0.55Al0.03Si12O30) Crystal Structure

General Information

  • Phase Label(s): KNa0.48Li3Zr1.18Ti0.24Fe0.55Al0.03Si12O30
  • Structure Class(es):
  • Classification by Properties: superionic conductor
  • Mineral Name(s): sogdianite
  • Pearson Symbol: hP104
  • Space Group: 192
  • Phase Prototype: KCa2(Be0.77Al0.23)3Si12O29.7[OH]0.3[H2O]0.70
  • Measurement Detail(s): diffractometer (determination of cell parameters), diffractometer; DRON-1 (determination of structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 250 reflections, R = 0.122
  • Sample Detail(s): sogdianite sample from, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K1.05Na0.95Li2.55Zr0.8Ti0.4Fe0.8Al0.15Si12O30
  • Alphabetic Formula: Al0.15Fe0.8K1.05Li2.55Na0.95O30Si12Ti0.4Zr0.8
  • Published Formula: K(Zr0.8Fe3+0.6Ti0.4Fe2+0.2)(Li2.55Al0.15)Si12O30(Na0.95K0.05)
  • Refined Formula: Fe0.50KLi3NaO30Si12Ti0.50Zr
  • Wyckoff Sequence: 192,m3lfdca
  • Z Formula Units: 2
  • Density: ρ = 2.75 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1801704

  • 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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