Inorganic Solid Phases

Si2.64Al1.36Al0.03Mg2.08Fe2+0.30Fe3+0.39Ti0.18Mn0.01Ni0.01K0.89Na0.08Ba0.03(O,OH,F,Cl)12 (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; 25 (determination of cell parameters), automatic diffractometer; Philips PW1100 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 72 variables; 1271 reflections; I > 3σ(I), R = 0.0209; wR = 0.0232
  • Sample Detail(s): phlogopite sample from Italy, Apennines, Basilicata, La Cupa, Monte Vulture, San Antonio quarry, electron microprobe analysis; Si2.64Al1.36Al0.03Mg2.08Fe2+0.30Fe3+0.39Ti0.18Mn0.01Ni0.01K0.89Na0.08Ba0.03[OH]1.39F0.16Cl0.01 based on 12 [O,OH,F,Cl], single crystal (determination of cell parameters), single crystal, 0.03×0.25×0.28 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.89Na0.08Mg2.11Ti0.18Fe0.7Al1.39Si2.64O10.44[OH]1.39F0.17
  • Alphabetic Formula: Al1.39F0.17Fe0.7K0.89Mg2.11Na0.08O10.44[OH]1.39Si2.64Ti0.18
  • Published Formula: Si2.64Al1.36Al0.03Mg2.08Fe2+0.30Fe3+0.39Ti0.18Mn0.01Ni0.01K0.89Na0.08Ba0.03(O,OH,F,Cl)12
  • Refined Formula: Fe0.81H1.35KMg2.19O12Si3.91
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.97 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_1224826

  • 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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