Inorganic Solid Phases

(NH4)21[H3Mo57V6(NO)6O183(H2O)18]·53H2O ([NH4]21V6Mo57O180[OH]3[NO]6[H2O]71, T = 20 K) Crystal Structure

General Information

  • Phase Label(s): [NH4]21V6Mo57O180[OH]3[NO]6[H2O]71
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: hP774
  • Space Group: 194
  • Phase Prototype: [NH4]21V6Mo57O180[OH]3[NO]6[H2O]71
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, Institut Laue-Langevin ILL, D19 (determination of structural parameters), neutrons; λ = 0.15350 nm (determination of cell and structural parameters), T = 20 K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): hydroxide, oxide, hydrate
  • Interpretation Detail(s): positions of non-H and part of H atoms determined, least-squares refinement; 412 variables; 1745 reflections; I > 2σ(I), R = 0.1302; wR = 0.3118
  • Sample Detail(s): single crystal (determination of cell parameters), single crystal, 3.3×5.2×5.9 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H3[NH4]21V6Mo57O183[NO]6[H2O]71
  • Alphabetic Formula: H3[H2O]71Mo57[NH4]21[NO]6O183V6
  • Published Formula: (NH4)21[H3Mo57V6(NO)6O183(H2O)18]·53H2O
  • Refined Formula: H201Mo57N27O260V6
  • Wyckoff Sequence: 194,l17k21j5i2h3f2e
  • Z Formula Units: 2
  • Density: ρ = 2.71 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1410108

  • 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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