Inorganic Solid Phases

Na20[Cu2Pd22P12O60(OH)8]·58H2O; H100 Cu Na10 O82 P6 Pd11 (Na10CuPd11[PO4]6O6[OH]4[H2O]29, T = 173 K) Crystal Structure

General Information

  • Phase Label(s): Na10CuPd11[PO4]6O6[OH]4[H2O]29
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP220
  • Space Group: 2
  • Phase Prototype: Na10CuPd11[PO4]6O6[OH]4[H2O]29
  • Measurement Detail(s): automatic diffractometer; 6649 (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 = 173 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, orthophosphate, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 991 variables; 9464 reflections; I > 2σ(I), R = 0.0846; wR = 0.1855
  • Sample Detail(s): sample prepared from Cu(CH3COO)2[H2O]2, NaH2PO4, NaOH, chemical analysis, thermogravimetry; 8.53 wt.% Na, 2.29 wt.% Cu, 42.45 wt.% Pd, 6.99 wt.% P; 58 crystal water molecules, single crystal (determination of cell parameters), single crystal, 0.07×0.08×0.31 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: Na10CuPd11[PO4]6O6[OH]4[H2O]29
  • Alphabetic Formula: Cu[H2O]29Na10O6[OH]4[PO4]6Pd11
  • Published Formula: Na20[Cu2Pd22P12O60(OH)8]·58H2O; H100 Cu Na10 O82 P6 Pd11
  • Refined Formula: CuH96Na10O82P6Pd11
  • Wyckoff Sequence: 2,i110
  • Z Formula Units: 2
  • Density: ρ = 2.18 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_1633529

  • 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