Inorganic Solid Phases

Li2Al2Si4O12·2H2O (Li2Al2Si4O12[H2O]2 rt, T = 13(1) K) Crystal Structure

General Information

  • Phase Label(s): Li2Al2Si4O12[H2O]2 rt
  • Structure Class(es): zeolite BIK
  • Classification by Properties:
  • Mineral Name(s): bikitaite 1A
  • Pearson Symbol: aP22
  • Space Group: 1
  • Phase Prototype: Li2Al2Si4O12[H2O]2
  • Measurement Detail(s): automatic diffractometer; 64 (determination of cell parameters), automatic diffractometer; U.S.A. New York, Brookhaven National Laboratory, HFBR, H6M (determination of structural parameters), neutrons; λ = 0.10505(1) nm (determination of cell and structural parameters), T = 13(1) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate, hydrate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 240 variables; 2083 reflections, R = 0.0260
  • Sample Detail(s): bikitaite sample from Zimbabwe (Southern Rhodesia), Bikita, single crystal (determination of cell parameters), single crystal, 1.5×2.0×4.1 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Li2Al2Si4O12[H2O]2
  • Alphabetic Formula: Al2[H2O]2Li2O12Si4
  • Published Formula: Li2Al2Si4O12·2H2O
  • Refined Formula: Al2H4Li1.86O14Si3.94
  • Wyckoff Sequence: 1,a22
  • Z Formula Units: 1
  • Density: ρ = 2.30 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_1613499

  • 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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