Inorganic Solid Phases

Na8H7[Pd123-SeO3)84-O)8In]3·24H2O (H7Na8Pd36In3[SeO3]24O24[H2O]24, T = 120(2) K) Crystal Structure

General Information

  • Phase Label(s): H7Na8Pd36In3[SeO3]24O24[H2O]24
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: cP191
  • Space Group: 200
  • Phase Prototype: H7Na8Pd36In3[SeO3]24O24[H2O]24
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 120(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): trioxoselenate(IV), oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 90 variables; 929 reflections; I > 2σ(I), R = 0.0375; wR = 0.1123
  • Sample Detail(s): sample prepared from SeO2, Pd(CH3COO)2, InCl3, CH3COONa, CH3COOH, chemical analysis; 4.03 wt.% In, 2.41 wt.% Na, 45.82 wt.% Pd, 22.61 wt.% Se, single crystal (determination of cell parameters), single crystal, 0.11×0.14×0.15 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H7Na8Pd36In3[SeO3]24O24[H2O]24
  • Alphabetic Formula: H7[H2O]24In3Na8O24Pd36[SeO3]24
  • Published Formula: Na8H7[Pd123-SeO3)84-O)8In]3·24H2O
  • Refined Formula: H48In3Na8O120Pd36Se24
  • Wyckoff Sequence: 200,l3k4j4ifed
  • Z Formula Units: 1
  • Density: ρ = 4.10 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_1141391

  • 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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