Inorganic Solid Phases

(NH4)9H[(SeMo6O21)2(C2O4)3]·10H2O (H[NH4]9Mo12[SeO3]2[C2O4]3O36[H2O]10) Crystal Structure

General Information

  • Phase Label(s): H[NH4]9Mo12[SeO3]2[C2O4]3O36[H2O]10
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: aP198
  • Space Group: 2
  • Phase Prototype: H[NH4]9Mo12[SeO3]2[C2O4]3O36[H2O]10
  • Measurement Detail(s): automatic diffractometer; 7923 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
  • Phase Class(es):
  • Compound Class(es): oxalate, trioxoselenate(IV), oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 892 variables; 10168 reflections; I > 2σ(I), R = 0.0355; wR = 0.1001
  • Sample Detail(s): sample prepared from [NH4]6Mo7O24[H2O]4, SeO2, H2C2O4[H2O]2, chemical analysis; 3.17 wt.% C, 3.10 wt.% H, 4.74 wt.% N, single crystal (determination of cell parameters), single crystal, 0.28×0.36×0.50 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H[NH4]9Mo12[SeO3]2[C2O4]3O36[H2O]10
  • Alphabetic Formula: [C2O4]3H[H2O]10Mo12[NH4]9O36[SeO3]2
  • Published Formula: (NH4)9H[(SeMo6O21)2(C2O4)3]·10H2O
  • Refined Formula: C6H56Mo12N9O64Se2
  • Wyckoff Sequence: 2,i99
  • Z Formula Units: 2
  • Density: ρ = 2.39 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_1637941

  • 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