Inorganic Solid Phases

PbTiO2(CO3)0.3(NO3)0.35(OH) (TiPb[CO3]0.3[NO3]0.35O2[OH]) Crystal Structure

Get Access CIF Download help (pdf)

General Information

  • Phase Label(s): TiPb[CO3]0.3[NO3]0.35O2[OH]
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP18
  • Space Group: 162
  • Phase Prototype: TiPb[CO3]0.3[NO3]0.35(O0.67[OH]0.33)3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility, POLARIS (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): carbonate, nitrate, hydroxide, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 26 variables, RP = 0.032; wRP = 0.0229; RB = 0.017
  • Sample Detail(s): sample prepared from Pb[NO3]2, titanium butoxide, TRAOH, tetrapropylammonium hydroxide, H2O, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: TiPb[CO3]0.3[NO3]0.35O2[OH]
  • Alphabetic Formula: [CO3]0.3[NO3]0.35O2[OH]PbTi
  • Published Formula: PbTiO2(CO3)0.3(NO3)0.35(OH)
  • Refined Formula: C0.22HN0.22O4.05PbTi
  • Wyckoff Sequence: 162,kiedc
  • Z Formula Units: 2
  • Density: ρ = 5.77 Mg·m−3
View 3D Interactive Structure

Cite this page

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_1411695

  • 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

    Download this citation

    Citation copied