Inorganic Solid Phases

KMg3−xFe2+x−yFe3+y(Si3Al)O12H2−y (K0.8Na0.2Mg1.7Ti0.3Fe0.9Al1.4Si2.8O11[OH]0.2) Crystal Structure

General Information

  • Phase Label(s): K0.8Na0.2Mg1.7Ti0.3Fe0.9Al1.4Si2.8O11[OH]0.2
  • 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; Picker FACS-I (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 649 reflections, R = 0.044
  • Sample Detail(s): oxybiotite sample from U.S.A. New Mexico, Ruiz Peak, sample prepared from oxybiotite 1M, (Si2.857Al1.143)(Al0.186Ti0.344Mn0.010Fe3+0.185Fe2+0.711Mg1.676)(Ba0.022Na0.162K0.777)([OH]0.711F0.169O11.120); amounts of 2M1 polytype, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.78Na0.22Mg1.65Ti0.5Fe0.85Al1.16Si2.84O10.84[OH]1.16
  • Alphabetic Formula: Al1.16Fe0.85K0.78Mg1.65Na0.22O10.84[OH]1.16Si2.84Ti0.5
  • Published Formula: KMg3−xFe2+x−yFe3+y(Si3Al)O12H2−y
  • Refined Formula: Al1.16Fe0.85HK0.78Mg1.63Na0.22O12Si2.84Ti0.52
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 3.04 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1213201

  • 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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