Inorganic Solid Phases

phlogopite 1M, sample No. 1 (K0.73Na0.32Ba0.1Mg2.27Mn0.48Fe0.53Al1.07Si2.86O10.43[OH]1.57) Crystal Structure

General Information

  • Phase Label(s): K0.73Na0.32Ba0.1Mg2.27Mn0.48Fe0.53Al1.07Si2.86O10.43[OH]1.57
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): annite/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; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 529 reflections; I > 3σ(I), R = 0.054; wR = 0.077
  • Sample Detail(s): phlogopite sample from Japan, Iwate Prefecture, Nodatamagawa mine, single crystal (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.84Na0.18Ba0.06Mg1.74Mn1.13Fe0.139Al1.15Si2.75O10[OH]1.93
  • Alphabetic Formula: Al1.15Ba0.06Fe0.139K0.84Mg1.74Mn1.13Na0.18O10[OH]1.93Si2.75
  • Published Formula: phlogopite 1M, sample No. 1
  • Refined Formula: Al1.16Ba0.05Fe0.14H1.93K0.78Mg1.75Mn1.11Na0.17O11.93Si2.76
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 3.00 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]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1926063

  • 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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