Inorganic Solid Phases

(NH4)3H3[{Mn(CO)3}(Mn(H2O)2)(Mn(H2O)3)(TeW9O33)]2·31H2O (H3[NH4]3W18Mn6[TeO3]2O60[CO]6[H2O]41) Crystal Structure

General Information

  • Phase Label(s): H3[NH4]3W18Mn6[TeO3]2O60[CO]6[H2O]41
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS312
  • Space Group: 12
  • Phase Prototype: H3[NH4]3W18Mn6[TeO3]2O60[CO]6[H2O]41
  • Measurement Detail(s): automatic diffractometer; 5044 (determination of cell parameters), automatic diffractometer; Bruker AXS 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 parameters)
  • Phase Class(es):
  • Compound Class(es): carbonyl, trioxotellurate(IV), oxide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement; 343 variables; 4455 reflections; I > 2σ(I), R = 0.0461; wR = 0.1232
  • Sample Detail(s): sample prepared from Na8(TeW9O33)[H2O]19.5, MnCl2, Mn[CO]5Br, chemical analysis; 1.31 wt.% C, 1.712 wt.% H, 0.75 wt.% N, 5.49 wt.% Mn, 4.29 wt.% Te, 56.27 wt.% W, single crystal (determination of cell parameters), single crystal, 0.16×0.21×0.35 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H3[NH4]3W18Mn6[TeO3]2O60[CO]6[H2O]41
  • Alphabetic Formula: [CO]6[H2O]41[NH4]3H3[TeO3]2Mn6O60W18
  • Published Formula: (NH4)3H3[{Mn(CO)3}(Mn(H2O)2)(Mn(H2O)3)(TeW9O33)]2·31H2O
  • Refined Formula: C6H94Mn6N3O113Te2W18
  • Wyckoff Sequence: 12,j29i17h2g
  • Z Formula Units: 2
  • Density: ρ = 3.31 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_1643710

  • 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