Inorganic Solid Phases

Pb2Ba2Ca2[B2(Si1.5Be0.5)Si8BO28]F (Ba2Ca2Be0.5Pb2Si9.5B2O28F) Crystal Structure

General Information

  • Phase Label(s): Ba2Ca2Be0.5Pb2Si9.5B2O28F
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): hyalotekite
  • Pearson Symbol: aP51
  • Space Group: 2
  • Phase Prototype: Ba2Ca2(Be0.25Si0.75)2Pb2Si8B2O28F
  • Measurement Detail(s): automatic diffractometer; 15 (determination of cell parameters), automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): borate, silicate, fluoride
  • Interpretation Detail(s): complete structure determined, 296 variables; 3713 reflections; I > 3σ(I), R = 0.060
  • Sample Detail(s): hyalotekite sample from Sweden, Värmland, Langban, electron microprobe analysis; 7.82 wt.% CaO, 20.08 wt.% BaO, 25.1 wt.% PbO, 3.73 wt.% B2O3, 39.47 wt.% SiO2 et al., single crystal (determination of cell parameters), single crystal, 0.12 mm diameter (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba2Ca2Be0.5Pb2Si9.5B2O28F
  • Alphabetic Formula: B2Ba2Be0.5Ca2FO28Pb2Si9.5
  • Published Formula: Pb2Ba2Ca2[B2(Si1.5Be0.5)Si8BO28]F
  • Refined Formula: B2Ba2.84Be0.38Ca2FO28Pb1.16Si9.62
  • Wyckoff Sequence: 2,i25d
  • Z Formula Units: 1
  • Density: ρ = 3.97 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
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_1615994

  • 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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