Inorganic Solid Phases

(NH4)15[H3Mo57V6(NO)6O189(H2O)12(VO)6]·~60H2O ([NH4]15V6[VO]6Mo57[NO]6O186[OH]3[H2O]74) Crystal Structure

General Information

  • Phase Label(s): [NH4]15V6[VO]6Mo57[NO]6O186[OH]3[H2O]74
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP730
  • Space Group: 194
  • Phase Prototype: [NH4]15V6[VO]6Mo57O186[OH]3[NO]6[H2O]74
  • Measurement Detail(s): automatic diffractometer; Enraf-Nonius CAD4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of structural parameters), T = 293 K (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxonitrate, hydroxide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 4691 reflections; I > 2σ(I), R = 0.0546; wR = 0.1699
  • Sample Detail(s): sample prepared from Na2MoO4[H2O]2, [NH4]2MoS4, NH4VO3, NH2OH[HCl], chemical analysis; 2.61 wt.% N, 50.51 wt.% Mo, 5.32 wt.% V, single crystal, 0.55×0.55×0.65 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]15V6[VO]6Mo57O186[OH]3[NO]6[H2O]74
  • Alphabetic Formula: [H2O]74Mo57[NH4]15[NO]6O186[OH]3V6[VO]6
  • Published Formula: (NH4)15[H3Mo57V6(NO)6O189(H2O)12(VO)6]·~60H2O
  • Refined Formula: H151Mo57N6O275V12
  • Wyckoff Sequence: 194,l17k19j5h5f
  • Z Formula Units: 2
  • Density: ρ = 2.81 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_1904711

  • 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