Inorganic Solid Phases

Na2.14Ba5.61Sr0.15La0.25Ce1.00Nd0.43[PO4]6Cl0.58F1.70 (NaBa3La0.15Ce0.6Nd0.25[PO4]3Cl0.25F0.75) Crystal Structure

General Information

  • Phase Label(s): NaBa3La0.15Ce0.6Nd0.25[PO4]3Cl0.25F0.75
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s): kuannersuite-(Ce)
  • Pearson Symbol: hP43
  • Space Group: 147
  • Phase Prototype: Na(Na0.17Ba0.66Nd0.17)3Nd[PO4]3F
  • Measurement Detail(s): Gandolfi photographs (determination of cell parameters), automatic diffractometer; Bruker AXS (determination of structural parameters), X-rays, Cu Kα; λ = 0.154178 nm (determination of cell parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, chloride, fluoride
  • Interpretation Detail(s): complete structure determined, least-squares refinement; 1539 reflections; F > 4σ(F), R = 0.0279; wR = 0.0565
  • Sample Detail(s): kuannersuite sample from Greenland, Ilimaussaq complex, Narssaq Kommune, electron microprobe analysis; (Ba5.61Sr0.15K0.03)Na2.14(Ce1.00Nd0.43La0.25Sm0.05Th0.02Pr0.01)(P6.02Si0.14)O23.72(F1.70Cl0.58), powder (determination of cell parameters), single crystal, 0.126×0.135×0.135 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: NaBa3La0.15Ce0.6Nd0.25[PO4]3Cl0.25F0.75
  • Alphabetic Formula: Ba3Ce0.6Cl0.25F0.75La0.15NaNd0.25[PO4]3
  • Published Formula: Na2.14Ba5.61Sr0.15La0.25Ce1.00Nd0.43[PO4]6Cl0.58F1.70
  • Refined Formula: Ba2.94Ce0.59Cl0.30F0.70La0.15NaNd0.26O12P3
  • Wyckoff Sequence: 147,g6d2ca
  • Z Formula Units: 2
  • Density: ρ = 4.66 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
U [nm2]
Type
Computed
Beq [nm2]

Anisotropic

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

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1321156

  • 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

    Citation copied