Inorganic Solid Phases

(K0.95Na0.05)(Al0.76Fe0.14Mg0.10)2(Si3.25Al0.75)O10(OH1.96F0.04) (K0.95Na0.05Mg0.20Fe0.28Al2.27Si3.25O10[OH]1.96F0.04, T = 973 K) Crystal Structure

General Information

  • Phase Label(s): K0.95Na0.05Mg0.20Fe0.28Al2.27Si3.25O10[OH]1.96F0.04
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): annite 2M2
  • 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; France, Grenoble, Institut Laue-Langevin ILL, D2B (determination of structural parameters), neutrons; λ = 0.15943 nm (determination of cell and structural parameters), T = 973 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; 76 variables; 2911 reflections, RP = 0.0283; wRP = 0.0365
  • Sample Detail(s): electron microprobe analysis; composition confirmed, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.95Na0.05Mg0.20Fe0.28Al2.27Si3.25O10[OH]1.96F0.04
  • Alphabetic Formula: Al2.27F0.04Fe0.28K0.95Mg0.20Na0.05O10[OH]1.96Si3.25
  • Published Formula: (K0.95Na0.05)(Al0.76Fe0.14Mg0.10)2(Si3.25Al0.75)O10(OH1.96F0.04)
  • Refined Formula: Al2.27F0.04Fe0.28H1.96K0.95Mg0.20Na0.05O11.96Si3.25
  • 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_1520656

  • 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