Inorganic Solid Phases

Na32.5Rb1.5[Ni2+14(OH)6(H2O)10(HPO4)4(P2W15O56)4]·109H2O (H4Rb1.5Na32.5W60Ni14[PO4]12O192[OH]6[H2O]119, T = 173(2) K) Crystal Structure

General Information

  • Phase Label(s): H4Rb1.5Na32.5W60Ni14[PO4]12O192[OH]6[H2O]119
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP891
  • Space Group: 2
  • Phase Prototype: H4Rb1.5Na32.5W60Ni14[PO4]12O192[OH]6[H2O]119
  • Measurement Detail(s): automatic diffractometer; 9895 (determination of cell parameters), automatic diffractometer; Bruker AXS D8 SMART APEX II (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 173(2) 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; 2212 variables; 23300 reflections; I > 2σ(I), R = 0.1067; wR = 0.2262
  • Sample Detail(s): sample prepared from NiCl2[H2O]6, Na12[P2W15O56][H2O]18, NaOH, Na3PO4, HCl, RbCl, chemical analysis; 0.62 wt.% Rb, 4.13 wt.% Na, 4.26 wt.% Ni, 55.0 wt.% W, 2.04 wt.% P, single crystal (determination of cell parameters), single crystal, 0.12×0.13×0.40 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H4Rb1.5Na32.5W60Ni14[PO4]12O192[OH]6[H2O]119
  • Alphabetic Formula: H4[H2O]119Na32.5Ni14O192[OH]6[PO4]12Rb1.5W60
  • Published Formula: Na32.5Rb1.5[Ni2+14(OH)6(H2O)10(HPO4)4(P2W15O56)4]·109H2O
  • Refined Formula: H83.50Na9.90Ni14O297.50P12Rb0.25W60
  • Wyckoff Sequence: 2,i445d
  • Z Formula Units: 2
  • Density: ρ = 3.31 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_1637560

  • 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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