Inorganic Solid Phases

(NH4)3[FO{MoO(O2)2}2]·0.5H2O ([NH4]3Mo2O3[O2]4F[H2O]0.5) Crystal Structure

General Information

  • Phase Label(s): [NH4]3Mo2O3[O2]4F[H2O]0.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP140
  • Space Group: 14
  • Phase Prototype: [NH4]3Mo2O3[O2]4F[H2O]0.5
  • Measurement Detail(s): diffractometer (determination of cell parameters), diffractometer; Syntex P21 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): peroxide, fluoride, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 316 variables; 3265 reflections; I > 3σ(I), R = 0.057; wR = 0.066
  • Sample Detail(s): sample prepared from ammonium fluoride, ammonium heptamolybdate, H2O2, iodometric titration; 28.1 wt.% O22−, single crystal (determination of cell parameters), single crystal, 0.10×0.16×0.27 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: [NH4]3Mo2O3[O2]4F[H2O]0.5
  • Alphabetic Formula: F[H2O]0.5Mo2[NH4]3O3[O2]4
  • Published Formula: (NH4)3[FO{MoO(O2)2}2]·0.5H2O
  • Refined Formula: FH12.50Mo2N3O11.25
  • Wyckoff Sequence: 14,e35
  • Z Formula Units: 8
  • Density: ρ = 2.56 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
B [nm2]
Type
Computed
Beq [nm2]

Powder Pattern

published defraction line
d [Å]
computed diffraction line for Cu Kα
d [nm]
intensity
I [1]
h [1]
k [1]
l [1]
Radiation
Remark

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1211179

  • 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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