Inorganic Solid Phases

(Sb3+1/2Ta3/2)(PO4)3 (Ta1.5Sb0.5[PO4]3) Crystal Structure

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General Information

  • Phase Label(s): Ta1.5Sb0.5[PO4]3
  • Structure Class(es): Nasicon family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hR102
  • Space Group: 167
  • Phase Prototype: Nb2[PO4]3
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Cheshire, Daresbury Synchrotron Radiation Source, 8.3 station (determination of structural parameters), X-rays, synchrotron; λ = 0.150481 nm (determination of cell parameters), X-rays, synchrotron; λ = 0.150481(2) nm (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 20 variables; 235 reflections, wRP = 0.120; RB = 0.045
  • Sample Detail(s): sample prepared from NH4H2PO4, Ta2O5, Sb2O3 (valentinite), electron microprobe analysis; small amounts of Ta2O5, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Ta1.5Sb0.5[PO4]3
  • Alphabetic Formula: [PO4]3Sb0.5Ta1.5
  • Published Formula: (Sb3+1/2Ta3/2)(PO4)3
  • Refined Formula: O12P3Sb0.50Ta1.50
  • Wyckoff Sequence: 167,f2ec
  • Z Formula Units: 6
  • Density: ρ = 4.29 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_1414729

  • 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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