Inorganic Solid Phases

(NH4)4[{H6Mo8O30}-{Re(CO)3}2]·14H2O (H3[NH4]2Mo4ReO15[CO]3[H2O]7) Crystal Structure

General Information

  • Phase Label(s): H3[NH4]2Mo4ReO15[CO]3[H2O]7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP140
  • Space Group: 14
  • Phase Prototype: H3[NH4]2Mo4ReO15[CO]3[H2O]7
  • Measurement Detail(s): automatic diffractometer; 9805 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (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): carbonyl, oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 316 variables; 4309 reflections; I > 2σ(I), R = 0.0252; wR = 0.0686
  • Sample Detail(s): sample prepared from [NH4]6[Mo7O24][H2O]4, Re[CO]5Cl, chemical analysis; 3.60 wt.% C, 2.46 wt.% H, 2.42 wt.% N, 36.97 wt.% Mo, 17.21 wt.% Re, single crystal (determination of cell parameters), single crystal, 0.15×0.18×0.22 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H3[NH4]2Mo4ReO15[CO]3[H2O]7
  • Alphabetic Formula: [CO]3H3[H2O]7Mo4[NH4]2O15Re
  • Published Formula: (NH4)4[{H6Mo8O30}-{Re(CO)3}2]·14H2O
  • Refined Formula: C3H25Mo4N2O25Re
  • Wyckoff Sequence: 14,e35
  • Z Formula Units: 4
  • 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]

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_1140647

  • 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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