Inorganic Solid Phases

(K0.78Na0.09Ba0.09☐0.04)(Al0.13Mg1.73Mn0.01Fe2+0.20Fe3+0.57Ti0.28☐0.08)(Si2.67Al1.33)O10.78F0.24Cl0.01(OH)0.97 (K0.87Mg1.78Ti0.3Fe0.79Al1.45Si2.66O10.79[OH]0.89F0.32) Crystal Structure

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General Information

  • Phase Label(s): K0.87Mg1.78Ti0.3Fe0.79Al1.45Si2.66O10.79[OH]0.89F0.32
  • Structure Class(es): mica family
  • Classification by Properties: –
  • Mineral Name(s): phlogopite 1M
  • Pearson Symbol: mS40
  • Space Group: 12
  • Phase Prototype: K0.8(Mg0.87Mn0.03Fe0.07Al0.03)3(Al0.3Si0.7)4O10[OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS X8 KAPPA APEX II (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, least-squares refinement; 73 variables; 517 reflections; I > 3σ(I), R = 0.0233; wR = 0.0246
  • Sample Detail(s): phlogopite sample from Italy, Apennines, Basilicata, La Cupa, Monte Vulture, electron microprobe analysis, Mössbauer spectroscopy; (K0.78Na0.09Ba0.090.04)(Al0.13Mg1.73Mn0.01Fe2+0.20Fe3+0.57Ti0.280.08)(Si2.67Al1.33)O10.78F0.24Cl0.01[OH]0.97, single crystal (determination of cell parameters), single crystal, 0.02×0.22×0.29 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.87Mg1.81Ti0.28Fe0.77Al1.46Si2.67O10.78[OH]0.97F0.25
  • Alphabetic Formula: Al1.46F0.25Fe0.77K0.87Mg1.81O10.78[OH]0.97Si2.67Ti0.28
  • Published Formula: (K0.78Na0.09Ba0.09☐0.04)(Al0.13Mg1.73Mn0.01Fe2+0.20Fe3+0.57Ti0.28☐0.08)(Si2.67Al1.33)O10.78F0.24Cl0.01(OH)0.97
  • Refined Formula: Al1.32Fe1.02H1.33KMg1.98O12Si2.68
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.97 Mg·m−3
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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]

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_1221341

  • 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)

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