Inorganic Solid Phases

Ca0.85Na0.14Al1.83Si2.16O8 (Na0.4Ca0.6Al1.6Si2.4O8) Crystal Structure

General Information

  • Phase Label(s): Na0.4Ca0.6Al1.6Si2.4O8
  • Structure Class(es):
  • Classification by Properties: nonmetal
  • Mineral Name(s): albite/anorthite low
  • Pearson Symbol: aP26
  • Space Group: 2
  • Phase Prototype: NaAlSi3O8
  • Measurement Detail(s): Guinier film; 46 (determination of cell parameters), automatic diffractometer; Syntex R3 (determination of structural parameters), X-rays, Cu Kα; λ = 0.154178 nm (determination of cell parameters), X-rays, Mo Kα; λ = 0.071069 nm (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 3756 reflections; I > 3σ(I), R = 0.034; wR = 0.036
  • Sample Detail(s): bytownite sample from Italy, Alps, Piedmont, Sesia-Lanzo area, Traversella deposit, powder (determination of cell parameters), single crystal, 0.10×0.20×0.35 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na0.14Ca0.85Al1.83Si2.16O8
  • Alphabetic Formula: Al1.83Ca0.85Na0.14O8Si2.16
  • Published Formula: Ca0.85Na0.14Al1.83Si2.16O8
  • Refined Formula: Al1.84Ca0.86Na0.14O8Si2.16
  • Wyckoff Sequence: 2,i28
  • Z Formula Units: 4
  • Density: ρ = 2.73 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_2042281

  • 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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