Inorganic Solid Phases

(K0.81Na0.09Ba0.070.03)(Al0.08Mg1.81Mn0.01Fe2+0.19Fe3+0.56Ti0.270.08)(Si2.62Al1.38)O10.69F0.15Cl0.01(OH)1.15 (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 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; 729 reflections; I > 3σ(I), R = 0.0189; wR = 0.0209
  • Sample Detail(s): phlogopite sample from Italy, Apennines, Basilicata, La Cupa, Monte Vulture, electron microprobe analysis, Mössbauer spectroscopy; (K0.81Na0.09Ba0.070.03)(Al0.08Mg1.81Mn0.01Fe2+0.19Fe3+0.56Ti0.270.08)(Si2.62Al1.38)O10.69F0.15Cl0.01[OH]1.15, single crystal (determination of cell parameters), single crystal, 0.02×0.33×0.37 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.81Na0.1Mg1.88Ti0.27Fe0.76Al1.46Si2.62O10.69[OH]1.15F0.16
  • Alphabetic Formula: Al1.46F0.16Fe0.76K0.81Mg1.88Na0.1O10.69[OH]1.15Si2.62Ti0.27
  • Published Formula: (K0.81Na0.09Ba0.070.03)(Al0.08Mg1.81Mn0.01Fe2+0.19Fe3+0.56Ti0.270.08)(Si2.62Al1.38)O10.69F0.15Cl0.01(OH)1.15
  • Refined Formula: Al1.36Fe1.06H1.57KMg1.95O12Si2.64
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 2.96 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_1221340

  • 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

    Citation copied