Inorganic Solid Phases

(K1.00Na0.03Ca0.01)(Al1.93Fe0.01Mg0.01Mn0.01)(Si3.09Al0.91)O10(OH)1.88F0.12 (KAl3Si3O10[OH]1.83F0.17, T = 798(11) K) Crystal Structure

General Information

  • Phase Label(s): KAl3Si3O10[OH]1.83F0.17
  • 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; 15 (determination of cell parameters), automatic diffractometer; Picker (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters), T = 798(11) K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined; temperature dependence studied, least-squares refinement; 89 variables; 1346 reflections; I > 3σ(I), R = 0.069; wR = 0.071
  • Sample Detail(s): sample from Portugal, Panasqueria, electron microprobe analysis; composition confirmed, single crystal (determination of cell parameters), single crystal, 0.40×0.38×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K1.00Al2.84Si3.09O10[OH]1.88F0.12
  • Alphabetic Formula: Al2.84F0.12K1.00O10[OH]1.88Si3.09
  • Published Formula: (K1.00Na0.03Ca0.01)(Al1.93Fe0.01Mg0.01Mn0.01)(Si3.09Al0.91)O10(OH)1.88F0.12
  • Refined Formula: Al2.91F0.12H1.88KO11.88Si3.09
  • 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
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_2080217

  • 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