Inorganic Solid Phases

K1.921Na0.040Li1.937Ca0.002Mg0.026Zn0.010Ti0.021Mn0.022Fe2+1.278Fe3+0.282Al3.459Si6.605O20.301[OH]0.487F3.212 (K0.95Na0.05Li0.17Mg0.10Fe1.87Al1.90Si2.95O10.93[OH]0.17F0.90) Crystal Structure

General Information

  • Phase Label(s): K0.95Na0.05Li0.17Mg0.10Fe1.87Al1.90Si2.95O10.93[OH]0.17F0.90
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): siderophyllite 1M
  • 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 (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, fluoride
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement, R = 0.0334
  • Sample Detail(s): mica group sample from U.S.A. Colorado, Pike's Peak, Sentinel Rock, electron microprobe analysis; K1.921Na0.040Li1.937Ca0.002Mg0.026Zn0.010Ti0.021Mn0.022Fe2+1.278Fe3+0.282Al3.459Si6.605O20.301[OH]0.487F3.212, single crystal (determination of cell parameters), single crystal, 0.02×0.40×0.40 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.96Na0.02Li0.97Mg0.01Fe0.78Al1.73Si3.31O10.15[OH]0.25F1.60
  • Alphabetic Formula: Al1.73F1.60Fe0.78K0.96Li0.97Mg0.01Na0.02O10.15[OH]0.25Si3.31
  • Published Formula: K1.921Na0.040Li1.937Ca0.002Mg0.026Zn0.010Ti0.021Mn0.022Fe2+1.278Fe3+0.282Al3.459Si6.605O20.301[OH]0.487F3.212
  • Refined Formula: Al1.72F1.60Fe0.78H0.25K0.98Li0.96Mg0.01Mn0.01Na0.02O10.40Si3.31
  • Wyckoff Sequence: 5,c8ba3
  • Z Formula Units: 2
  • Density: ρ = 2.95 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
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1020297

  • 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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