Inorganic Solid Phases

Pb2+Cu2+(REE)(CO3)3(OH)(H2O) (CuNdPb[CO3]3[OH][H2O]) Crystal Structure

General Information

  • Phase Label(s): CuNdPb[CO3]3[OH][H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s): schuilingite-(Nd)
  • Pearson Symbol: oP68
  • Space Group: 33
  • Phase Prototype: CuNdPb[CO3]3[OH][H2O]
  • Measurement Detail(s): automatic diffractometer; 32 (determination of cell parameters), automatic diffractometer; Nicolet R3m (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, hydroxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 1094 reflections; F > 5σ(F), R = 0.038; wR = 0.046
  • Sample Detail(s): schuilingite sample from Democratic Republic of Congo (Zaire), Katanga (Shaba), Kasompi mine, electron microprobe analysis; Pb1.05Cu0.92Y0.16La0.04Pr0.03Nd0.24Sm0.12Eu0.06Gd0.18Tb0.02Dy0.13Er0.03Yb0.01H3.0C3.0O11, single crystal (determination of cell parameters), single crystal, 0.025×0.025×0.060 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: CuNdPb[CO3]3[OH][H2O]
  • Alphabetic Formula: [CO3]3Cu[H2O]Nd[OH]Pb
  • Published Formula: Pb2+Cu2+(REE)(CO3)3(OH)(H2O)
  • Refined Formula: C3CuH3NdO11Pb
  • Wyckoff Sequence: 33,a17
  • Z Formula Units: 4
  • Density: ρ = 4.68 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1014094

  • 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