Inorganic Solid Phases

(K0.83Na0.01Ca0.04)(Fe3+1.15Fe2+0.36Mg0.41Al0.05Ti0.01)(Si3.94Al0.06)O10(OH)2 (K0.84Ca0.04Mg0.41Fe1.51Al0.11Si3.94O10[OH]2) Crystal Structure

General Information

  • Phase Label(s): K0.84Ca0.04Mg0.41Fe1.51Al0.11Si3.94O10[OH]2
  • Structure Class(es): mica family
  • Classification by Properties:
  • Mineral Name(s): celadonite 1M
  • Pearson Symbol: mS38
  • Space Group: 12
  • Phase Prototype: K0.5Al2(Al0.125Si0.875)4O10[OH]2
  • Measurement Detail(s): electron diffraction (determination of cell and structural parameters), electrons (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement, R = 0.0298
  • Sample Detail(s): celadonite sample from Ukraine, Kryvyi Rig (Krivoi Rog), single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.84Ca0.04Mg0.41Fe1.51Al0.11Si3.94O10[OH]2
  • Alphabetic Formula: Al0.11Ca0.04Fe1.51K0.84Mg0.41O10[OH]2Si3.94
  • Published Formula: (K0.83Na0.01Ca0.04)(Fe3+1.15Fe2+0.36Mg0.41Al0.05Ti0.01)(Si3.94Al0.06)O10(OH)2
  • Refined Formula: Al0.11Ca0.05Fe1.53H2K0.96Mg0.42O12Si3.94
  • Wyckoff Sequence: 12,j3i2ha
  • Z Formula Units: 2
  • Density: ρ = 3.07 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

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_1122199

  • 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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