Inorganic Solid Phases

K0.948Na0.067Mg1.449Ca0.004Ti0.277Mn0.011Fe1.14Al1.308Si2.815O10.517(OH)1.182F0.299Cl0.003 (K0.9Na0.1Mg2Ti0.2Fe0.7Al1.4Si2.7O10.7[OH]1.2F0.1) Crystal Structure

General Information

  • Phase Label(s): K0.9Na0.1Mg2Ti0.2Fe0.7Al1.4Si2.7O10.7[OH]1.2F0.1
  • 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 (determination of cell parameters), automatic diffractometer; Bruker AXS X8 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): positions of non-H atoms determined, least-squares refinement; 1167 reflections, R = 0.0299
  • Sample Detail(s): mica group sample from Italy, Apennines, Tuscany, Tolfa area, Monte Sassetto, electron microprobe analysis; K0.948Na0.067Mg1.449Ca0.004Ti0.277Mn0.011Fe1.14Al1.308Si2.815O10.517[OH]1.182F0.299Cl0.003, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.948Na0.067Mg1.453Ti0.277Fe1.151Al1.308Si2.815O10.516[OH]1.182F0.302
  • Alphabetic Formula: Al1.308F0.302Fe1.151K0.948Mg1.453Na0.067O10.516[OH]1.182Si2.815Ti0.277
  • Published Formula: K0.948Na0.067Mg1.449Ca0.004Ti0.277Mn0.011Fe1.14Al1.308Si2.815O10.517(OH)1.182F0.299Cl0.003
  • Refined Formula: Al1.31Ca0Cl0F0.30Fe1.14H1.18K0.93Mg1.45Mn0.01Na0.07O11.70Si2.82Ti0.28
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 3.09 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]

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_1216797

  • 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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