Inorganic Solid Phases

Ba2TiGe2O8, ht paraelastic (Ba2Ti[Ge2O7]O ht, T = 1163 K) Crystal Structure

General Information

  • Phase Label(s): Ba2Ti[Ge2O7]O ht
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: tP26
  • Space Group: 100
  • Phase Prototype: Ba2Ti[Si2O7]O
  • Measurement Detail(s): automatic diffractometer; Rigaku (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters), T = 1163 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): digermanate, oxide
  • Interpretation Detail(s): complete structure determined; composition dependence studied, 182 reflections; F > 3σ(F), R = 0.076
  • Sample Detail(s): fresnoite sample from synthetic, sample prepared from BaO, GeO2 (α-quartz), TiO2 rutile, single crystal, 0.133×0.160×0.067 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Ba2Ti[Ge2O7]O
  • Alphabetic Formula: Ba2[Ge2O7]OTi
  • Published Formula: Ba2TiGe2O8, ht paraelastic
  • Refined Formula: Ba2Ge2O8Ti
  • Wyckoff Sequence: 100,dc3ba2
  • Z Formula Units: 2
  • Density: ρ = 4.73 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
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_2041205

  • 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

    Citation copied