Inorganic Solid Phases

PbHf0.8Ti0.2O3, rt (Hf0.5Ti0.5PbO3 rt rhom) Crystal Structure

General Information

  • Phase Label(s): Hf0.5Ti0.5PbO3 rt rhom
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR30
  • Space Group: 161
  • Phase Prototype: LiNbO3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Saclay, Laboratoire Léon Brillouin LLB, ORPHEE reactor, 3T2 (determination of structural parameters), neutrons; λ = 0.12251 nm (determination of cell and structural parameters), T = 290 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 39 variables; 158 reflections, RP = 0.035; wRP = 0.044; RB = 0.026
  • Sample Detail(s): sample prepared from Pb[NO3]2, H2(HfO[C2O4]2)[H2O]5, [NH4]2(TiO[C2O4]2)[H2O]2, energy-dispersive spectroscopy; trace amounts of HfO2, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Hf0.8Ti0.2PbO3
  • Alphabetic Formula: Hf0.8O3PbTi0.2
  • Published Formula: PbHf0.8Ti0.2O3, rt
  • Refined Formula: Hf0.80O3PbTi0.20
  • Wyckoff Sequence: 161,ba2
  • Z Formula Units: 6
  • Density: ρ = 9.78 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
B11 [nm2]
B22 [nm2]
B33 [nm2]
B12 [nm2]
B13 [nm2]
B23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1110733

  • 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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