Inorganic Solid Phases

[K0.56Na0.32][Ca0.04Mg1.66Fe2+0.3][Mg0.98Fe3+0.3Al2.62Si2.1]O12 (K0.28Na0.16Ca0.02Mg1.32Fe0.3Al1.31Si1.05O6) Crystal Structure

General Information

  • Phase Label(s): K0.28Na0.16Ca0.02Mg1.32Fe0.3Al1.31Si1.05O6
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP24
  • Space Group: 176
  • Phase Prototype: Ba0.5CaIn3O6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F2; 188 reflections, R = 0.019; wR = 0.047
  • Sample Detail(s): sample prepared from SiO2, MgO, CaSiO3 (wollastonite), NaAlSiO4, Na2Si2O5, MgCO3, K2CO3, Fe, electron microprobe analysis; 28.29 wt.% SiO2, 29.96 wt.% Al2O3, 9.79 wt.% FeO, 23.42 wt.% MgO, 2.21 wt.% Na2O, 5.96 wt.% K2O, 0.51 wt.% CaO, single crystal (determination of cell parameters), single crystal, 0.03 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.28Na0.16Ca0.02Mg1.32Fe0.3Al1.31Si1.05O6
  • Alphabetic Formula: Al1.31Ca0.02Fe0.3K0.28Mg1.32Na0.16O6Si1.05
  • Published Formula: [K0.56Na0.32][Ca0.04Mg1.66Fe2+0.3][Mg0.98Fe3+0.3Al2.62Si2.1]O12
  • Refined Formula: Al0.44Ca0.02Fe0.20K1.69Mg0.99Na0.95O6Si0.35
  • Wyckoff Sequence: 176,h3ec
  • Z Formula Units: 2
  • Density: ρ = 3.99 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_1617840

  • 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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