Inorganic Solid Phases

K0.789Na0.160Ba0.014Fe0.0030.034Al1.018Si2.987O8 (K0.8Na0.16Ba0.01Al1.02Si2.99O8, T = 1208 K) Crystal Structure

General Information

  • Phase Label(s): K0.8Na0.16Ba0.01Al1.02Si2.99O8
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): sanidine
  • Pearson Symbol: mS52
  • Space Group: 12
  • Phase Prototype: K(Al0.25Si0.75)4O8
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Rigaku AFC5 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters), T = 1208 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, least-squares refinement; 680 reflections; F > 3σ(F), R = 0.056; wR = 0.055
  • Sample Detail(s): sanidine sample from Germany, Rhineland-Palatinate, Eifel, Volkesfeld, electron microprobe analysis; 64.96 wt.% SiO2, 18.78 wt.% Al2O3, 0.09 wt.% FeO, 1.79 wt.% Na2O, 13.43 wt.% K2O, 0.79 wt.% BaO, single crystal (determination of cell parameters), single crystal, 0.13×0.14×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K0.8Na0.16Ba0.01Al1.02Si2.99O8
  • Alphabetic Formula: Al1.02Ba0.01K0.8Na0.16O8Si2.99
  • Published Formula: K0.789Na0.160Ba0.014Fe0.0030.034Al1.018Si2.987O8
  • Refined Formula: AlBa0.02K0.81Na0.17O8Si3
  • Wyckoff Sequence: 12,j5i2g
  • Z Formula Units: 4
  • Density: ρ = 2.51 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
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_1618180

  • 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

    Citation copied