Inorganic Solid Phases

Ba4Nd3Na3(PO4)6F2 (Na1.5Ba2Nd1.5[PO4]3F) Crystal Structure

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General Information

  • Phase Label(s): Na1.5Ba2Nd1.5[PO4]3F
  • Structure Class(es): apatite family
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: hP43
  • Space Group: 147
  • Phase Prototype: Na(Na0.17Ba0.66Nd0.17)3Nd[PO4]3F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; General Electric XRD (determination of structural parameters), X-rays, Mo Kα1; λ = 0.0709300 nm (determination of cell parameters), X-rays, Mo Kα; λ = 0.070930 nm (determination of structural parameters)
  • Phase Class(es): –
  • Compound Class(es): orthophosphate, fluoride
  • Interpretation Detail(s): complete structure determined; composition dependence studied, full-matrix least-squares refinement; 1262 reflections; I > 2σ(I), R = 0.044; wR = 0.062
  • Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.12×0.12×0.08 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na1.5Ba2Nd1.5[PO4]3F
  • Alphabetic Formula: Ba2FNa1.5Nd1.5[PO4]3
  • Published Formula: Ba4Nd3Na3(PO4)6F2
  • Refined Formula: Ba2FNa1.50Nd1.50O12P3
  • Wyckoff Sequence: 147,g6d2ca
  • Z Formula Units: 2
  • Density: ρ = 4.56 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

Anisotropic

Site
U11 [nm2]
U22 [nm2]
U33 [nm2]
U12 [nm2]
U13 [nm2]
U23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_2080311

  • 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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