Inorganic Solid Phases

Rb0.98Ti0.99Nb0.01OPO4 (Rb0.98Ti0.99Nb0.01[PO4]O) Crystal Structure

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General Information

  • Phase Label(s): Rb0.98Ti0.99Nb0.01[PO4]O
  • Structure Class(es): –
  • Classification by Properties: birefringent, ferroelectric FE, non-linear optics NLO, nonmetal, superionic con
  • Mineral Name(s): –
  • Pearson Symbol: oP64
  • Space Group: 33
  • Phase Prototype: KTi[PO4]O
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate, oxide
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 169 variables; F > 3σ(F), R = 0.052; wR = 0.072
  • Sample Detail(s): sample prepared from RbNO3, TiO2 rutile, NH4H2PO4, Nb2O5, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Rb0.98Ti0.99Nb0.01[PO4]O
  • Alphabetic Formula: Nb0.01O[PO4]Rb0.98Ti0.99
  • Published Formula: Rb0.98Ti0.99Nb0.01OPO4
  • Refined Formula: Nb0.01O5PRb0.98Ti0.99
  • Wyckoff Sequence: 33,a16
  • Z Formula Units: 8
  • Density: ρ = 3.63 Mg·m−3
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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_1122171

  • 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)

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