Inorganic Solid Phases

H[(H2O)6Nd]2[(H2O)7Nd][(H2O)4NdSiW11O39][(H2O)3NdSiW11O39]·13H2O (HNd5W22[SiO4]2O70[H2O]39) Crystal Structure

General Information

  • Phase Label(s): HNd5W22[SiO4]2O70[H2O]39
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP592
  • Space Group: 14
  • Phase Prototype: HNd5W22[SiO4]2O70[H2O]39
  • Measurement Detail(s): automatic diffractometer; 50238 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthosilicate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 1333 variables; 10454 reflections; I > 2σ(I), R = 0.0765; wR = 0.1463
  • Sample Detail(s): sample prepared from Nd[NO3]3[H2O]6, K4[SiW11O39][H2O]3, NaOH, atomic emission spectroscopy; 59.89 wt.% W, 10.45 wt.% Nd, 0.97 wt.% Si, 1.02 wt.% H, single crystal (determination of cell parameters), single crystal, 0.24×0.30×0.38 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: HNd5W22[SiO4]2O70[H2O]39
  • Alphabetic Formula: H[H2O]39Nd5O70[SiO4]2W22
  • Published Formula: H[(H2O)6Nd]2[(H2O)7Nd][(H2O)4NdSiW11O39][(H2O)3NdSiW11O39]·13H2O
  • Refined Formula: H78Nd5O117Si2W22
  • Wyckoff Sequence: 14,e148
  • Z Formula Units: 4
  • Density: ρ = 4.08 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_1021575

  • 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