Inorganic Solid Phases

Nd-FAp, Ca10−x−2yNayREEx+y(P1−xSixO4)6A2, Ca8.632Na0.512Nd0.820P5.710Si0.324O24.04F1.634[OH]0.366 (NaCa3Nd[PO4]3F) Crystal Structure

General Information

  • Phase Label(s): NaCa3Nd[PO4]3F
  • Structure Class(es): apatite family
  • Classification by Properties:
  • Mineral Name(s): carlgieseckeite-(Nd)
  • 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; Enraf-Nonius CAD4F (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, least-squares refinement; 41 variables; 325 reflections; I > 3σ(I), R = 0.024; wR = 0.025
  • Sample Detail(s): sample prepared from Ca10[PO4]6[OH]2, Nd2O3, CaF2, NaF, SiO2, chemical analysis; 34.47 wt.% P2O5, 1.80 wt.% SiO2, 12.74 wt.% Nd2O3, 44.68 wt.% CaO, 1.47 wt.% Na2O, 2.87 wt.% F, single crystal (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: Na0.2Ca4.3Nd0.4[PO4]3F
  • Alphabetic Formula: Ca4.3FNa0.2Nd0.4[PO4]3
  • Published Formula: Nd-FAp, Ca10−x−2yNayREEx+y(P1−xSixO4)6A2, Ca8.632Na0.512Nd0.820P5.710Si0.324O24.04F1.634[OH]0.366
  • Refined Formula: Ca4.33FNa0.26Nd0.41O12P3
  • Wyckoff Sequence: 176,ih4fa
  • Z Formula Units: 2
  • Density: ρ = 3.39 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

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1212827

  • 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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