Inorganic Solid Phases

BaB2Si2O8 (Ba[Si2O7]B2O) Crystal Structure

General Information

  • Phase Label(s): Ba[Si2O7]B2O
  • Structure Class(es):
  • Classification by Properties: nonmetal
  • Mineral Name(s): maleevite
  • Pearson Symbol: oP52
  • Space Group: 62
  • Phase Prototype: Ca[Si2O7]B2O
  • Measurement Detail(s): automatic diffractometer; 25 (determination of cell parameters), automatic diffractometer; Siemens P4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): disilicate, borate
  • Interpretation Detail(s): complete structure determined, least-squares refinement on F2; 879 reflections; F > 4σ(F), R = 0.022; wR = 0.055
  • Sample Detail(s): maleevite sample from Tajikistan, Tien-Shan Mountains, Dara-i-Pioz, electron microprobe analysis; 34.86 wt.% SiO2, 19.92 wt.% B2O3, 43.64 wt.% BaO, 0.42 wt.% PbO, single crystal (determination of cell parameters), single crystal, 0.10×0.12×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba[Si2O7]B2O
  • Alphabetic Formula: B2BaO[Si2O7]
  • Published Formula: BaB2Si2O8
  • Refined Formula: B2BaO8Si2
  • Wyckoff Sequence: 62,d5c3
  • Z Formula Units: 4
  • Density: ρ = 3.79 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]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1321147

  • 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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