Inorganic Solid Phases

K0.97Na0.03Li0.52Mg2.14Fe0.34Al0.6Si3.4O10[OH]0.8F1.2 Crystal Structure

General Information

  • Phase Label(s): K0.97Na0.03Li0.52Mg2.14Fe0.34Al0.6Si3.4O10[OH]0.8F1.2
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): phlogopite 1M
  • Pearson Symbol: mS40
  • Space Group: 12
  • Phase Prototype: KMg3(Al0.25Si0.75)4O10([OH]0.5F0.5)2
  • Measurement Detail(s): automatic diffractometer; 26 (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 677 reflections; F > 4σ(F), R = 0.037; wR = 0.100
  • Sample Detail(s): phlogopite sample from Russia, Kola Peninsula, Khibiny massif, electron microprobe analysis; 48.49 wt.% SiO2, 0.88 wt.% TiO2, 7.18 wt.% Al2O3, 5.71 wt.% FeO, 20.61 wt.% MgO, 0.62 wt.% MnO, 0.01 wt.% BaO, 0.05 wt.% Na2O, 10.70 wt.% K2O, 0.02 wt.% Cr2O3, 0.03 wt.% S, 2.91 wt.% F, single crystal (determination of cell parameters), single crystal, 0.07×0.16×0.20 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.97Na0.03Li0.52Mg2.14Fe0.34Al0.6Si3.4O10[OH]0.8F1.2
  • Alphabetic Formula: Al0.6F1.2Fe0.34K0.97Li0.52Mg2.14Na0.03O10[OH]0.8Si3.4
  • Published Formula: K0.97Na0.03Li0.52Mg2.14Fe0.34Al0.6Si3.4O10[OH]0.8F1.2
  • Refined Formula: Al0.60F1.20Fe0.34H0.80K0.97Li0.52Mg2.14Na0.03O10.80Si3.40
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.85 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_1520639

  • 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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