Inorganic Solid Phases

(Si3.30Al0.70)(Al1.00Fe0.36Mg0.01Mn0.31Li1.32)(Ca0.01Na0.04K0.94Rb0.01)O10.00F1.91(OH)0.09 (K0.94Na0.05Li1.06Mn0.56Fe0.49Al1.8Si3.11O10[OH]0.11F1.89) Crystal Structure

General Information

  • Phase Label(s): K0.94Na0.05Li1.06Mn0.56Fe0.49Al1.8Si3.11O10[OH]0.11F1.89
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): masutomilite
  • Pearson Symbol: mS40
  • Space Group: 5
  • Phase Prototype: KLi2Al(Al0.025Si0.975)4O10F2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS X8 APEX II (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 873 reflections, R = 0.0398
  • Sample Detail(s): mica group sample from Russia, Murzinka region, Yuzhakova, Mokrusha mine, electron microprobe analysis; (Si3.30Al0.70)(Al1.00Fe0.36Mg0.01Mn0.31Li1.32)(Ca0.01Na0.04K0.94Rb0.01)O10.00F1.91[OH]0.09, single crystal (determination of cell parameters), single crystal, 0.02×0.04×0.06 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.95Na0.06Li1.32Mn0.31Fe0.37Al1.7Si3.3O10[OH]0.09F1.91
  • Alphabetic Formula: Al1.7F1.91Fe0.37K0.95Li1.32Mn0.31Na0.06O10[OH]0.09Si3.3
  • Published Formula: (Si3.30Al0.70)(Al1.00Fe0.36Mg0.01Mn0.31Li1.32)(Ca0.01Na0.04K0.94Rb0.01)O10.00F1.91(OH)0.09
  • Refined Formula: Al1.70Ca0.01F1.91Fe0.36H0.10K0.94Li1.32Mg0.01Mn0.31Na0.04O10.09Rb0.01Si3.30
  • Wyckoff Sequence: 5,c8ba3
  • Z Formula Units: 2
  • Density: ρ = 2.90 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_1217010

  • 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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