Inorganic Solid Phases

Fe-free kaersutite (K0.226Na0.932Ca1.734Mg4.112Ti0.643Al2.430Si5.967O22.589[OH]1.411) Crystal Structure

General Information

  • Phase Label(s): K0.226Na0.932Ca1.734Mg4.112Ti0.643Al2.430Si5.967O22.589[OH]1.411
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): kaersutite
  • Pearson Symbol: mS88
  • Space Group: 12
  • Phase Prototype: Na2.08Mg5.78Al0.12Si8O22F2
  • Measurement Detail(s): automatic diffractometer (determination of cell and structural parameters), X-rays (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 853 reflections; I > 5σ(I), R = 0.018
  • Sample Detail(s): kaersutite sample from synthetic, sample prepared from SiO2, MgO, Al2O3, TiO2 rutile, CaCO3, Na2CO3, K2CO3, electron microprobe analysis; (Si6.131Al1.869)(Al0.452Ti0.568Cr0.002Mg3.978)(Mg0.140Ca1.742Na0.118)(Na0.795K0.193)[OH1.305F0.014Cl0.002O0.679]O22, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: K0.193Na0.913Ca1.742Mg4.120Ti0.568Al2.321Si6.131O22.684[OH]1.316
  • Alphabetic Formula: Al2.321Ca1.742K0.193Mg4.120Na0.913O22.684[OH]1.316Si6.131Ti0.568
  • Published Formula: Fe-free kaersutite
  • Refined Formula: Al2.33Ca1.74H1.32K0.19Mg4.12Na0.93O24Si6.12Ti0.57
  • Wyckoff Sequence: 12,j7i3h2g2ba
  • Z Formula Units: 2
  • Density: ρ = 3.08 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1601673

  • 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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