Inorganic Solid Phases

Nd2(SeO4)(SeO3)2(H2O)2 (Nd2[SeO3]2[SeO4][H2O]2) Crystal Structure

General Information

  • Phase Label(s): Nd2[SeO3]2[SeO4][H2O]2
  • Structure Class(es):
  • Classification by Properties: nonmetal
  • Mineral Name(s):
  • Pearson Symbol: mS68
  • Space Group: 15
  • Phase Prototype: Nd2[SeO3]2[SeO4][H2O]2
  • Measurement Detail(s): automatic diffractometer; Siemens SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): trioxoselenate(IV), tetraoxoselenate(VI), hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 78 variables; 992 reflections; I > 2σ(I), R = 0.0454; wR = 0.0848
  • Sample Detail(s): sample prepared from Nd2O3, H2SeO4, 1.10-phenantroline, single crystal, 0.04×0.06×0.16 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Nd2[SeO3]2[SeO4][H2O]2
  • Alphabetic Formula: [H2O]2Nd2[SeO3]2[SeO4]
  • Published Formula: Nd2(SeO4)(SeO3)2(H2O)2
  • Refined Formula: H4Nd2O12Se3
  • Wyckoff Sequence: 15,f8e
  • Z Formula Units: 4
  • Density: ρ = 4.24 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1908173

  • 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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