Inorganic Solid Phases

Nd(CO3)(OH) (La0.33Pr0.1Nd0.46Sm0.07Gd0.04[CO3][OH]) Crystal Structure

General Information

  • Phase Label(s): La0.33Pr0.1Nd0.46Sm0.07Gd0.04[CO3][OH]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): kozoite-(La)/kozoite-(Nd)
  • Pearson Symbol: oP24
  • Space Group: 62
  • Phase Prototype: (Sr0.20Ca0.11La0.28Ce0.41)[CO3]([OH]0.69[H2O]0.31)
  • Measurement Detail(s): Gandolfi photographs (determination of cell parameters), Gandolfi photographs; Japan, Hyogo, Japan Synchrotron Radiation Research Institute, SPring-8, BL39XU (determination of structural parameters), X-rays, synchrotron; λ = 0.21597 nm (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydroxide
  • Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, RP = 0.0399; wRP = 0.0609; RB = 0.0806
  • Sample Detail(s): kozoite sample from Japan, Saga Prefecture, Niikoba, electron microprobe analysis; 21.39 wt.% La2O3, 6.25 wt.% Pr2O3, 30.66 wt.% Nd2O3, 5.39 wt.% Sm2O3, 1.84 wt.% Eu2O3, 21.10 wt.% CO2 et al., powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: La0.33Pr0.1Nd0.46Sm0.07Gd0.04[CO3][OH]
  • Alphabetic Formula: [CO3]Gd0.04La0.33Nd0.46[OH]Pr0.1Sm0.07
  • Published Formula: Nd(CO3)(OH)
  • Refined Formula: CGd0.05HLa0.32Nd0.45O4Pr0.10Sm0.08
  • Wyckoff Sequence: 62,dc4
  • Z Formula Units: 4
  • Density: ρ = 4.75 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]

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_1617728

  • 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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