Inorganic Solid Phases

Ca2(Al2SiO6)(OH)2 (Ca4Al4Si2O12[OH]4) Crystal Structure

General Information

  • Phase Label(s): Ca4Al4Si2O12[OH]4
  • Structure Class(es): zeolite SOD
  • Classification by Properties:
  • Mineral Name(s): bicchulite
  • Pearson Symbol: cI52
  • Space Group: 217
  • Phase Prototype: Ca4(Al0.67Si0.33)6O12[OH]4
  • Measurement Detail(s): automatic diffractometer; Syntex R3 (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 121 reflections; F > 1.96σ(F), R = 0.017; wR = 0.012
  • Sample Detail(s): bicchulite sample from synthetic, single crystal, 0.05 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca4Al4Si2O12[OH]4
  • Alphabetic Formula: Al4Ca4O12[OH]4Si2
  • Published Formula: Ca2(Al2SiO6)(OH)2
  • Refined Formula: Al4Ca4H4O16Si2
  • Wyckoff Sequence: 217,gdc2
  • Z Formula Units: 2
  • Density: ρ = 2.82 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

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_2110113

  • 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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