Inorganic Solid Phases

(K0.91Na0.02Ba0.03)(Fe2+0.65Fe3+0.163Al0.123Mg1.81Ti0.149)Si2.708Al1.292O10(OH)1.725F0.175 (K0.9Ba0.03Mg1.8Ti0.14Fe0.81Al1.4Si2.7O10[OH]1.725F0.175) Crystal Structure

General Information

  • Phase Label(s): K0.9Ba0.03Mg1.8Ti0.14Fe0.81Al1.4Si2.7O10[OH]1.725F0.175
  • 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; 30 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα; λ = 0.07107 nm (determination of cell and structural parameters), p = 0.0001 GPa (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined; pressure dependence studied, least-squares refinement; 30 variables; 190 reflections, R = 0.071
  • Sample Detail(s): phlogopite sample from Italy, Colli Albani, chemical analysis; (K0.91Na0.02Ba0.03)(Fe2+0.65Fe3+0.163Al0.123Mg1.81Ti0.149)Si2.708Al1.292O10[OH]1.725F0.175, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.9Ba0.03Mg1.8Ti0.14Fe0.81Al1.4Si2.7O10[OH]1.725F0.175
  • Alphabetic Formula: Al1.4Ba0.03F0.175Fe0.81K0.9Mg1.8O10[OH]1.725Si2.7Ti0.14
  • Published Formula: (K0.91Na0.02Ba0.03)(Fe2+0.65Fe3+0.163Al0.123Mg1.81Ti0.149)Si2.708Al1.292O10(OH)1.725F0.175
  • Refined Formula: Al1.29Fe0.82KMg2.18O12Si2.71
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.95 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_1220921

  • 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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