Inorganic Solid Phases

LiNa2K(Fe,Mg,Mn)2(TiO)2[Si8O22] (KNa2LiTi2Fe2Si8O24) Crystal Structure

General Information

  • Phase Label(s): KNa2LiTi2Fe2Si8O24
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): neptunite
  • Pearson Symbol: mS160
  • Space Group: 9
  • Phase Prototype: KNa2Li(Mg0.17Mn0.10Fe0.73)2Ti2Si8O24
  • Measurement Detail(s): precession and Weissenberg photographs (determination of structural parameters), X-rays, Cu Kα, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement, R = 0.117
  • Sample Detail(s): neptunite sample from U.S.A. California, San Benito County, chemical analysis; 52.29 wt.% SiO2, 17.35 wt.% TiO2, 11.92 wt.% FeO, 2.27 wt.% MnO, 1.55 wt.% MgO, 0.62 wt.%CaO, 5.58 wt.% K2O, 6.81 wt.% Na2O, 1.63 wt.% Li2O, single crystal, 0.22 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: KNa2LiTi2Fe2Si8O24
  • Alphabetic Formula: Fe2KLiNa2O24Si8Ti2
  • Published Formula: LiNa2K(Fe,Mg,Mn)2(TiO)2[Si8O22]
  • Refined Formula: Fe2KLiNa2O24Si8Ti2
  • Wyckoff Sequence: 15,f19e2
  • Z Formula Units: 4
  • Density: ρ = 3.24 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_1700162

  • 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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