Inorganic Solid Phases

(Ba0.006K0.994)(Si3.150Al0.850)(Al0.040Fe0.150Mg0.100Mn0.062V1.696Ti0.003)O10(OH)2 (KMg0.1V1.7Mn0.1Fe0.2Al0.9Si3.1O10[OH]2) Crystal Structure

General Information

  • Phase Label(s): KMg0.1V1.7Mn0.1Fe0.2Al0.9Si3.1O10[OH]2
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): roscoelite
  • Pearson Symbol: mS40
  • Space Group: 12
  • Phase Prototype: KMg3(Al0.25Si0.75)4O10([OH]0.5F0.5)2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens P4P (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement on F2; 746 reflections; F > 4σ(F), R = 0.0329; wR = 0.0821
  • Sample Detail(s): roscoelite sample from Italy, Apennines, Liguria, Val Graveglia, Reppia, electron microprobe analysis; (Ba0.006K0.994)(Si3.150Al0.850)(Al0.040Fe0.150Mg0.100Mn0.062V1.696Ti0.003)O10[OH]2, single crystal (determination of cell parameters), single crystal, 0.07×0.12×0.14 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: KMg0.1V1.7Mn0.1Fe0.2Al0.9Si3.1O10[OH]2
  • Alphabetic Formula: Al0.9Fe0.2KMg0.1Mn0.1O10[OH]2Si3.1V1.7
  • Published Formula: (Ba0.006K0.994)(Si3.150Al0.850)(Al0.040Fe0.150Mg0.100Mn0.062V1.696Ti0.003)O10(OH)2
  • Refined Formula: Al0.84Fe0.14KMg0.10Mn0.06O12Si3.20V1.64
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 3.09 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_1214210

  • 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

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