Inorganic Solid Phases

Ti22KLi3(Si12O30) (KLi3Ti2Si12O30) Crystal Structure

General Information

  • Phase Label(s): KLi3Ti2Si12O30
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): berezanskite
  • Pearson Symbol: hP96
  • Space Group: 192
  • Phase Prototype: KCa2(Be0.67Al0.33)3Si12O30
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX II ULTRA (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 392 reflections; F > 4σ(F), R = 0.0208; wR = 0.0525
  • Sample Detail(s): berezanskite sample from Tajikistan, Tien-Shan Mountains, Dara-i-Pioz, electron microprobe analysis; (Li2.95Al0.02)(K0.98Na0.06)(Ba0.01Ti1.94Nb0.04Fe0.02)Si11.99O30, data quoted from the literature, single crystal (determination of cell parameters), single crystal, 0.006×0.009×0.012 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KLi3Ti2Si12O30
  • Alphabetic Formula: KLi3O30Si12Ti2
  • Published Formula: Ti22KLi3(Si12O30)
  • Refined Formula: Al0.02Fe0.02KLi2.95Nb0.04O30Si12Ti1.94
  • Wyckoff Sequence: 192,m3lfca
  • Z Formula Units: 2
  • Density: ρ = 2.67 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]

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1242095

  • 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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