Inorganic Solid Phases

Na14H12[(BO3)2(B2O4(OH)2)2Ni8O4(SiW9O34)2]·32H2O (H12Na14W18Ni8[SiO4]2B4[BO3]2O72[OH]4[H2O]32) Crystal Structure

General Information

  • Phase Label(s): H12Na14W18Ni8[SiO4]2B4[BO3]2O72[OH]4[H2O]32
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP1118
  • Space Group: 176
  • Phase Prototype: H12Na14W18Ni8[SiO4]2B4[BO3]2O72[OH]4[H2O]32
  • Measurement Detail(s): automatic diffractometer; 9205 (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 = 296(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): orthoborate, hydroxide, orthosilicate, borate, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 684 variables; 8606 reflections; I > 2σ(I), R = 0.0633; wR = 0.1377
  • Sample Detail(s): sample prepared from Ni(CH3COO)2[H2O]4, Na4B4O7, NaOH, Na10[A-α-SiW9O34][H2O]19, chemical analysis; 1.09 wt.% B, 5.06 wt.% Na, 0.81 wt.% Si, 7.43 wt.% Ni, 52.73 wt.% W, single crystal (determination of cell parameters), single crystal, 0.13×0.13×0.25 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H12Na14W18Ni8[SiO4]2B4[BO3]2O72[OH]4[H2O]32
  • Alphabetic Formula: B4[BO3]2H12[H2O]32Na14Ni8O72[OH]4[SiO4]2W18
  • Published Formula: Na14H12[(BO3)2(B2O4(OH)2)2Ni8O4(SiW9O34)2]·32H2O
  • Refined Formula: B6H38.16Na13.60Ni8O107.08Si2W18
  • Wyckoff Sequence: 176,i85h12f5ed
  • Z Formula Units: 6
  • Density: ρ = 3.38 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_1140950

  • 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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