Inorganic Solid Phases

lawsonite (CaFe0.05Al1.95[Si2O7][OD]2[D2O] l2, T = 50 K) Crystal Structure

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General Information

  • Phase Label(s): CaFe0.05Al1.95[Si2O7][OD]2[D2O] l2
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): lawsonite-D lt2
  • Pearson Symbol: oP60
  • Space Group: 33
  • Phase Prototype: CaAl2[Si2O7][OH]2[H2O]
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, HRPD (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 50 K (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): hydroxide-D, disilicate, hydrate-D
  • Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement; 84 variables, RP = 0.0365; wRP = 0.0388
  • Sample Detail(s): lawsonite sample from U.S.A. California, Sonoma County, Valley Ford, sample prepared from lawsonite, D2O, electron microprobe analysis; Ca1.00Al1.95Fe0.05Si2.01 per formula unit, other elements were excluded from further consideration, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CaFe0.05Al1.95[Si2O7][OD]2[D2O]
  • Alphabetic Formula: Al1.95Ca[D2O]Fe0.05[OD]2[Si2O7]
  • Published Formula: lawsonite
  • Refined Formula: Al1.94CaD4Fe0.06O10Si2
  • Wyckoff Sequence: 33,a15
  • Z Formula Units: 4
  • Density: ρ = 3.15 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

Isotropic

Site
Published
U [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1811737

  • 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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