Inorganic Solid Phases

KNa2Li(Fe,Mn)2Ti2(Si8O24) (KNa2LiMg0.66Ti2Mn0.67Fe0.67Si8O24) Crystal Structure

General Information

  • Phase Label(s): KNa2LiMg0.66Ti2Mn0.67Fe0.67Si8O24
  • 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): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (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; 4892 reflections; F > 4σ(F), R = 0.0307; wR = 0.0901
  • Sample Detail(s): neptunite sample from Russia, Kola Peninsula, Khibiny massif, Mt. Kaskasnjunchar, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: KNa2LiMg0.66Ti2Mn0.67Fe0.67Si8O24
  • Alphabetic Formula: Fe0.67KLiMg0.66Mn0.67Na2O24Si8Ti2
  • Published Formula: KNa2Li(Fe,Mn)2Ti2(Si8O24)
  • Refined Formula: Fe0.68KLiMg0.66Mn0.66Na2O24Si8Ti2
  • Wyckoff Sequence: 9,a40
  • Z Formula Units: 4
  • Density: ρ = 3.15 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1820012

  • 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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