Inorganic Solid Phases

[K0.93Na0.08Ca0.01][Al1.83Fe0.16Mg0.01][Si3.10Al0.90]O10[OH] (KAl3Si3O10[OH]1.83F0.17, T = 573(8) 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; 27 (determination of cell parameters), automatic diffractometer; Picker (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters), T = 573(8) 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; 87 variables; 1282 reflections; I > 3σ(I), R = 0.053; wR = 0.068
  • Sample Detail(s): sample from U.S.A. South Dakota, Pennington County, Keystone, Diamond mine, electron microprobe analysis; (K0.93Na0.08Ca0.01)(Al1.83Fe0.16Mg0.01)(Si3.10Al0.90)O10(OH)1.83F0.17, single crystal (determination of cell parameters), single crystal, 0.25×0.028×0.03 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KAl3Si3O10[OH]1.83F0.17
  • Alphabetic Formula: Al3F0.17KO10[OH]1.83Si3
  • Published Formula: [K0.93Na0.08Ca0.01][Al1.83Fe0.16Mg0.01][Si3.10Al0.90]O10[OH]
  • Refined Formula: Al2.90F0.17H1.83KO11.83Si3.10
  • Wyckoff Sequence: 15,f9e
  • Z Formula Units: 4
  • Density: ρ = 2.80 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_2080215

  • 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