Inorganic Solid Phases

(K,Rb,Cs)(Mg,Fe,Al,Li,Mn,Ti)(Si2.9Al1.1)O10[(OH)1.5F0.5] (Cs0.2Rb0.3K0.5Mg1.5Fe1.7Al1.3Si3O10[OH]1.5F0.5) Crystal Structure

General Information

  • Phase Label(s): Cs0.2Rb0.3K0.5Mg1.5Fe1.7Al1.3Si3O10[OH]1.5F0.5
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS40
  • Space Group: 12
  • Phase Prototype: KMg3(Al0.25Si0.75)4O10([OH]0.5F0.5)2
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Nicolet P4 (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): complete structure determined, full-matrix least-squares refinement; 519 reflections, R = 0.045; wR = 0.045
  • Sample Detail(s): phlogopite sample from Canada, Manitoba, Red Cross Lake, electron microprobe analysis; 35.15 wt.% SiO2, 15.02 wt.% Al2O3, 14.41 wt.% Fe2O3, 9.71 wt.% MgO, 4.37 wt.% K2O, 5.17 wt.% Rb2O, 6.60 wt.% Cs2O et al., single crystal (determination of cell parameters), single crystal, 0.005×0.14×0.19 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Cs0.2Rb0.3K0.5Mg1.5Fe1.7Al1.3Si3O10[OH]1.5F0.5
  • Alphabetic Formula: Al1.3Cs0.2F0.5Fe1.7K0.5Mg1.5O10[OH]1.5Rb0.3Si3
  • Published Formula: (K,Rb,Cs)(Mg,Fe,Al,Li,Mn,Ti)(Si2.9Al1.1)O10[(OH)1.5F0.5]
  • Refined Formula: Al1.34Cs0.24F0.50Fe1.19H1.50K0.47Mg1.47O11.50Rb0.29Si3
  • Wyckoff Sequence: 12,j3i2hda
  • Z Formula Units: 2
  • Density: ρ = 3.40 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_1617722

  • 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