Inorganic Solid Phases

(K0.81Na0.19)([H2O]0.91Na0.64)(Fe3+1.32Na0.59Ti4+0.06Fe2+0.03)(Li2.12Al0.59Fe3+0.29)Si12O30; sugilite (K0.8Na1.6Li2.1Ti0.1Fe1.8Al0.6Si12O30[H2O]0.9) Crystal Structure

General Information

  • Phase Label(s): K0.8Na1.6Li2.1Ti0.1Fe1.8Al0.6Si12O30[H2O]0.9
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): sugilite
  • Pearson Symbol: hP100
  • Space Group: 192
  • Phase Prototype: K2Mg5Si12O30
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (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; 435 reflections; I > 3σ(I), R = 0.047
  • Sample Detail(s): sugilite sample from Japan, Ehime Prefecture, Iwagi Islet, single crystal (determination of cell parameters), single crystal, 0.15×0.15×0.20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.8Na1.6Li2.1Ti0.1Fe1.8Al0.6Si12O30[H2O]0.9
  • Alphabetic Formula: Al0.6Fe1.8[H2O]0.9K0.8Li2.1Na1.6O30Si12Ti0.1
  • Published Formula: (K0.81Na0.19)([H2O]0.91Na0.64)(Fe3+1.32Na0.59Ti4+0.06Fe2+0.03)(Li2.12Al0.59Fe3+0.29)Si12O30; sugilite
  • Refined Formula: Al0.59Fe1.64H1.82K0.81Li2.12Na1.42O30.91Si12Ti0.06
  • Wyckoff Sequence: 192,m3lfdca
  • Z Formula Units: 2
  • Density: ρ = 2.84 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_1923482

  • 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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