Inorganic Solid Phases

NaAlSi2O6; Al3.88Ca0.04Mg0.16Na3.96O24Si8 (NaAlSi2O6 jad) Crystal Structure

General Information

  • Phase Label(s): NaAlSi2O6 jad
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): jadeite
  • Pearson Symbol: mS40
  • Space Group: 15
  • Phase Prototype: CaMgSi2O6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX (determination of structural parameters), X-rays, Mo Kα; λ = 0.071070 nm (determination of cell and structural parameters), T = 293(2) 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; 59 variables; 990 reflections; I > 2σ(I), R = 0.0270; wR = 0.0737
  • Sample Detail(s): jadeite sample from U.S.A. California, New Idria, electron microprobe analysis; Si1.999(4)Al1.009(8)Fe2+0.0015(7)Mg0.0002(3)Mn0.0001(3)Ti0.0002(2)Cr0.0003(4)Ca0.002(1)Na0.97(2)O6, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: NaAlSi2O6
  • Alphabetic Formula: AlNaO6Si2
  • Published Formula: NaAlSi2O6; Al3.88Ca0.04Mg0.16Na3.96O24Si8
  • Refined Formula: Al0.96Ca0.01Mg0.04Na0.99O6Si2
  • Wyckoff Sequence: 15,f4e2
  • Z Formula Units: 4
  • Density: ρ = 3.34 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_1237086

  • 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