Inorganic Solid Phases

U-doped Ca5(PO4)3F (Na0.08Ca4.88U0.04[PO4]3F) Crystal Structure

General Information

  • Phase Label(s): Na0.08Ca4.88U0.04[PO4]3F
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP42
  • Space Group: 176
  • Phase Prototype: Ca5[PO4]3F
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS APEX (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthophosphate, fluoride
  • Interpretation Detail(s): complete structure determined; composition dependence studied, least-squares refinement on F2; 42 variables; 477 reflections, R = 0.0198; wR = 0.0500
  • Sample Detail(s): sample prepared from Ca5[PO4]3F, CaF2, UO2, SiO2, NaF, electron microprobe analysis; P6.02Si0.04U0.08Ca9.85Na0.06O24.32F1.68Cl0.01[OH]0.32, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.08Ca4.88U0.04[PO4]3F
  • Alphabetic Formula: Ca4.88FNa0.08[PO4]3U0.04
  • Published Formula: U-doped Ca5(PO4)3F
  • Refined Formula: Ca4.96FO12P3U0.04
  • Wyckoff Sequence: 176,ih4fa
  • Z Formula Units: 2
  • Density: ρ = 3.24 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1223679

  • 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