Inorganic Solid Phases

(Bi,La)4(Ti,Si)3O12 (I) (LaTi2.5Bi3Si0.5O12 rt) Crystal Structure

General Information

  • Phase Label(s): LaTi2.5Bi3Si0.5O12 rt
  • Structure Class(es):
  • Classification by Properties: ferroelectric FE, nonmetal
  • Mineral Name(s):
  • Pearson Symbol: mS76
  • Space Group: 9
  • Phase Prototype: (La0.25Bi0.75)2Ti3Bi2O12
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Japan, Tsukuba, High Energy Accelerator Research Organization (KEK), KENS, VEGA (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement, RP = 0.0423; wRP = 0.0531
  • Sample Detail(s): sample prepared from Bi4Si3O12, Bi3.25La0.75Ti3O12, inductive coupled plasma method; Bi2.940La0.980Ti2.450Si0.620O12, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: LaTi2.5Bi3Si0.5O12
  • Alphabetic Formula: Bi3LaO12Si0.5Ti2.5
  • Published Formula: (Bi,La)4(Ti,Si)3O12 (I)
  • Refined Formula: Bi3.21La0.79O11.71Si0.81Ti2.19
  • Wyckoff Sequence: 9,a19
  • Z Formula Units: 4
  • Density: ρ = 7.49 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1220818

  • 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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