Inorganic Solid Phases

(K0.82Ba0.14Na0.04)(Cr1.42Al1.28Mg0.18V0.12)(OH,F)2[Si3AlO10] (K0.82Na0.04Ba0.14Mg0.14V0.13Cr1.45Al1.28Si3O10[OH]2) Crystal Structure

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General Information

  • Phase Label(s): K0.82Na0.04Ba0.14Mg0.14V0.13Cr1.45Al1.28Si3O10[OH]2
  • 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; Enraf-Nonius (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): complete structure determined, full-matrix least-squares refinement; 937 reflections; F > 3σ(F), R = 0.048
  • Sample Detail(s): mica group sample from Russia, Lake Baikal, Slyudyanka, electron microprobe analysis; (K0.822Ba0.142Na0.039)(Cr3+1.424Al0.27Mg0.179V3+1.125Fe2+0.008Ca0.003)(Si3.021Al0.979)O10[OH1.664F0.304], single crystal (determination of cell parameters), single crystal, 0.2×0.4×0.8 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.82Na0.04Ba0.14Mg0.14V0.13Cr1.45Al1.28Si3O10[OH]2
  • Alphabetic Formula: Al1.28Ba0.14Cr1.45K0.82Mg0.14Na0.04O10[OH]2Si3V0.13
  • Published Formula: (K0.82Ba0.14Na0.04)(Cr1.42Al1.28Mg0.18V0.12)(OH,F)2[Si3AlO10]
  • Refined Formula: Al1.28Ba0.14Cr1.42H2K0.82Mg0.18Na0.04O12Si3V0.12
  • Wyckoff Sequence: 15,f9e
  • Z Formula Units: 4
  • Density: ρ = 3.16 Mg·m−3
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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_1012940

  • 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)

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