Inorganic Solid Phases

Nb3(NbO2(PO4)7 (Nb5[PO4]7O2) Crystal Structure

General Information

  • Phase Label(s): Nb5[PO4]7O2
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS168
  • Space Group: 15
  • Phase Prototype: Nb5[PO4]7O2
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Cheshire, Daresbury Synchrotron Radiation Source, 9.1 station (determination of structural parameters), X-rays, synchrotron; λ = 0.10001 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, oxide
  • Interpretation Detail(s): complete structure determined, Rietveld refinement; 66 variables; 1299 reflections, RP = 0.047; wRP = 0.115; RB = 0.038
  • Sample Detail(s): sample prepared from NH4H2PO4, Nb2O5, electron microprobe analysis, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Nb5[PO4]7O2
  • Alphabetic Formula: Nb5O2[PO4]7
  • Published Formula: Nb3(NbO2(PO4)7
  • Refined Formula: Nb5O30P7
  • Wyckoff Sequence: 15,f20ec
  • Z Formula Units: 4
  • Density: ρ = 3.37 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_1414545

  • 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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