Inorganic Solid Phases

Ca4Be2Si7O24(OH)2[(Be,Si)2(Si,Al)2(OH,O)2] (Ca4Be2Al2Si9O26[OH]2) 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; Bruker AXS P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, silicate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement on F2; 1235 reflections; F > 4σ(F), R = 0.0252; wR = 0.0729
  • Sample Detail(s): bavenite sample from Italy, Novara, Oresco, Aple Rossa, electron microprobe analysis; (Na0.003Ca4.033)Be2Si7O24[OH]2(Si1.780Be0.220)(Si0.184Al1.816)O1.813[OH]0.187, single crystal (determination of cell parameters), single crystal, 0.016×0.110×0.130 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ca4Be2.2Al1.8Si9O25.8[OH]2.2
  • Alphabetic Formula: Al1.8Be2.2Ca4O25.8[OH]2.2Si9
  • Published Formula: Ca4Be2Si7O24(OH)2[(Be,Si)2(Si,Al)2(OH,O)2]
  • Refined Formula: Al1.82Be2.22Ca4H2.18O28Si8.96
  • Wyckoff Sequence: 63,h7g3f3e2c
  • Z Formula Units: 4
  • Density: ρ = 2.74 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1226452

  • 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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