Inorganic Solid Phases

(Na4)(NH4)2α-[H2VW17O54(VO4)2] (HNa2[NH4]V0.5W8.5[VO4]O27 rhom, T = 100 K) Crystal Structure

General Information

  • Phase Label(s): HNa2[NH4]V0.5W8.5[VO4]O27 rhom
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hR1209
  • Space Group: 166
  • Phase Prototype: HNa2[NH4](V0.06W0.94)9[VO4]O27
  • Measurement Detail(s): automatic diffractometer; 3121 (determination of cell parameters), automatic diffractometer; Oxford Diffraction Gemini (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 100 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): vanadate, oxide
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 154 variables; 7580 reflections; I > 2σ(I), R = 0.0427; wR = 0.1130
  • Sample Detail(s): sample prepared from Na2WO4[H2O]2, NH2OH[HCl], NH4VO3, HCl, chemical analysis; 0.60 wt.% H, 0.69 wt.% N, 2.10 wt.% Na, 3.40 wt.% V, 68.12 wt.% W, single crystal (determination of cell parameters), single crystal, 0.17×0.19×0.24 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: HNa2[NH4]V0.5W8.5[VO4]O27
  • Alphabetic Formula: H[NH4]Na2O27V0.5[VO4]W8.5
  • Published Formula: (Na4)(NH4)2α-[H2VW17O54(VO4)2]
  • Refined Formula: H4NNa2O36.47V1.54W8.46
  • Wyckoff Sequence: 166,i21h19g2f4a
  • Z Formula Units: 18
  • Density: ρ = 4.12 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_1627585

  • 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