Inorganic Solid Phases

(K0.8Na0.10.1)Na2Li(Ti0.39Mg0.34Fe0.27)2(Ti0.59Mg0.22Fe0.19)2[Si4O11]2(O,OH) (K0.7Na2.3LiMg1.1Ti2.0Fe0.8Si7.8O23[OH]) Crystal Structure

General Information

  • Phase Label(s): K0.7Na2.3LiMg1.1Ti2.0Fe0.8Si7.8O23[OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): magnesioneptunite
  • Pearson Symbol: mS168
  • Space Group: 15
  • Phase Prototype: K0.7Na2.3LiMg1.1Ti2.0Fe0.8Si7.8O23[OH]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Oxford Diffraction Xcalibur S (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 193 variables; 2114 reflections; I > 2σ(I), R = 0.0244; wR = 0.0503
  • Sample Detail(s): magnesioneptunite sample from Russia, Kabardino-Balkaria, Caucasus, Mt. Lakargi, electron microprobe analysis; LiK0.67Na2.27Ca0.01Mn0.01Mg1.16Fe0.88Ti2.01V0.01Cr0.01Si7.95Al0.02O23[OH], single crystal (determination of cell parameters), single crystal, 0.04×0.08×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.7Na2.3LiMg1.1Ti2.0Fe0.8Si7.8O23[OH]
  • Alphabetic Formula: Fe0.8K0.7LiMg1.1Na2.3O23[OH]Si7.8Ti2.0
  • Published Formula: (K0.8Na0.10.1)Na2Li(Ti0.39Mg0.34Fe0.27)2(Ti0.59Mg0.22Fe0.19)2[Si4O11]2(O,OH)
  • Refined Formula: Fe0.93HK0.80LiMg1.10Na2.20O24Si8Ti1.97
  • Wyckoff Sequence: 15,f20e2
  • Z Formula Units: 4
  • Density: ρ = 3.12 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_1128072

  • 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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