Inorganic Solid Phases

(K0.82Na0.115)(Mg2.28Al0.495Fe0.12)(Al1.215Si2.785)O10[(OH)1.932F0.068] (K0.82Na0.115Mg2.28Fe0.12Al1.71Si2.785O10[OH]1.932F0.068, T = 723 K) Crystal Structure

General Information

  • Phase Label(s): K0.82Na0.115Mg2.28Fe0.12Al1.71Si2.785O10[OH]1.932F0.068
  • 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 (determination of cell parameters), automatic diffractometer; Picker 4-circle (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 723 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined; temperature dependence studied, full-matrix least-squares refinement, R = 0.119; wR = 0.129
  • Sample Detail(s): phlogopite sample from Australia, Western Australia, White Well, chemical analysis; (K0.82Na0.115)(Mg2.28Al0.495Fe0.12)(Al1.215Si2.785)O10[[OH]1.932F0.068], single crystal (determination of cell parameters), single crystal, 0.1×0.2×0.4 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.82Na0.115Mg2.28Fe0.12Al1.71Si2.785O10[OH]1.932F0.068
  • Alphabetic Formula: Al1.71F0.068Fe0.12K0.82Mg2.28Na0.115O10[OH]1.932Si2.785
  • Published Formula: (K0.82Na0.115)(Mg2.28Al0.495Fe0.12)(Al1.215Si2.785)O10[(OH)1.932F0.068]
  • Refined Formula: Al1.71F0.07Fe0.12H1.93K0.82Mg2.28Na0.12O11.93Si2.78
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.76 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

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1014154

  • 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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