Inorganic Solid Phases

Na9K[Ni7(OH)4(H2O)(CO3)2(HCO3)(A-α-SiW9O34)(β-SiW10O37)]·5H3O·18H2O (HKNa9[H3O]5W19Ni7Si2[CO3]3O71[OH]4[H2O]19) Crystal Structure

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General Information

  • Phase Label(s): HKNa9[H3O]5W19Ni7Si2[CO3]3O71[OH]4[H2O]19
  • Structure Class(es): –
  • Classification by Properties: –
  • Mineral Name(s): –
  • Pearson Symbol: aP307
  • Space Group: 2
  • Phase Prototype: HKNa9[H3O]5W19Ni7Si2[CO3]3O71[OH]4[H2O]19
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku R-AXIS RAPID (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): carbonate, hydroxide, silicate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 1384 variables; 19105 reflections, R = 0.1221; wR = 0.2159
  • Sample Detail(s): sample prepared from K8[γ-SiW10O36], NiCl2, KCl, Na2CO3, spectroscopy; 0.59 wt.% C, 0.63 wt.% K, 3.5 wt.% Na, 6.84 wt.% Ni, 0.92 wt.% Si, 57.6 wt.% W, single crystal (determination of cell parameters), single crystal, 0.25×0.28×0.30 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: HKNa9[H3O]5W19Ni7Si2[CO3]3O71[OH]4[H2O]19
  • Alphabetic Formula: [CO3]3H[H2O]19[H3O]5KNa9Ni7O71[OH]4Si2W19
  • Published Formula: Na9K[Ni7(OH)4(H2O)(CO3)2(HCO3)(A-α-SiW9O34)(β-SiW10O37)]·5H3O·18H2O
  • Refined Formula: C3H48KNa9Ni7O108Si2W19
  • Wyckoff Sequence: 2,i153a
  • Z Formula Units: 2
  • Density: ρ = 3.56 Mg·m−3
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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_1212616

  • 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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