Inorganic Solid Phases

Fe-rich phengite 2M1 (KFe0.26Al2.48Si3.26O10[OH]1.88F0.12, T = 873 K) Crystal Structure

General Information

  • Phase Label(s): KFe0.26Al2.48Si3.26O10[OH]1.88F0.12
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): muscovite 2M1
  • Pearson Symbol: mS76
  • Space Group: 15
  • Phase Prototype: KAl2(Al0.25Si0.75)4O10[OH]2-a
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, HRPD (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 873 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, RP = 0.043; wRP = 0.038
  • Sample Detail(s): phengite sample from Italy, Alps, Trentino-Alto Adige, Val Passiria, sample prepared from phengite, electron microprobe analysis; (K0.94Na0.03)(Al1.67Mg0.04Fe0.34)(Si3.26Al0.74)O10[OH0.94F0.06]2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: KFe0.26Al2.48Si3.26O10[OH]1.88F0.12
  • Alphabetic Formula: Al2.48F0.12Fe0.26KO10[OH]1.88Si3.26
  • Published Formula: Fe-rich phengite 2M1
  • Refined Formula: Al2.50F0.12Fe0.26H1.88KO11.88Si3.24
  • Wyckoff Sequence: 15,f9e
  • Z Formula Units: 4
  • Density: ρ = 2.81 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_1601669

  • 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