Inorganic Solid Phases

Ca4[Be3AlSi9O25(OH)3] (Ca4Be2Al2Si9O26[OH]2, T = 120 K) Crystal Structure

General Information

  • Phase Label(s): Ca4Be2Al2Si9O26[OH]2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): bavenite
  • Pearson Symbol: oS180
  • Space Group: 63
  • Phase Prototype: Ca4Be2Al2Si9O26[OH]2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D20 (determination of structural parameters), neutrons; λ = 0.187 nm (determination of cell and structural parameters), T = 120 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0197; wRP = 0.0251
  • Sample Detail(s): bavenite sample from Greenland, Ilimaussaq complex, energy-dispersive X-ray analysis; Si9.00(4)Al0.96(4)Ca3.85(4)Zn0.02(1)Na0.05(4)Be3.04O24.86[OH]3.04, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ca4Be3AlSi9O25[OH]3
  • Alphabetic Formula: AlBe3Ca4O25[OH]3Si9
  • Published Formula: Ca4[Be3AlSi9O25(OH)3]
  • Refined Formula: AlBe3Ca4H3O28Si9
  • Wyckoff Sequence: 63,h7g3f3e2c
  • 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_1224906

  • 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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