Inorganic Solid Phases

K0.334Na0.686Ca0.008Al0.987Si2.994O8 (K0.65Na0.31Ca0.04AlSi2.99O8 ht, T = 673 K) Crystal Structure

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General Information

  • Phase Label(s): K0.65Na0.31Ca0.04AlSi2.99O8 ht
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): anorthoclase/sanidine
  • Pearson Symbol: mS52
  • Space Group: 12
  • Phase Prototype: K(Al0.25Si0.75)4O8
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Picker FACS-I (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 673 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, full-matrix least-squares refinement; 855 reflections, R = 0.073; wR = 0.043
  • Sample Detail(s): anorthoclase sample from Portugal, Azores, Grande Caldeira, electron microprobe analysis; 0.17 wt.% CaO, 5.9 wt.% K2O, 7.9 wt.% Na2O, 0.43 wt.% Fe2O3, 66.6 wt.% SiO2, 18.6 wt.% Al2O3, single crystal (determination of cell parameters), single crystal, 0.050×0.070×0.150 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.334Na0.686Ca0.008Al0.987Si2.994O8
  • Alphabetic Formula: Al0.987Ca0.008K0.334Na0.686O8Si2.994
  • Published Formula: K0.334Na0.686Ca0.008Al0.987Si2.994O8
  • Refined Formula: AlCa0.01K0.33Na0.67O8Si3
  • Wyckoff Sequence: 12,j5i2g
  • Z Formula Units: 4
  • Density: ρ = 2.55 Mg·m−3
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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
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1213232

  • 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)

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