Inorganic Solid Phases

(NH4)3H5[{Mn4(H2O)10}(β-BiW9O33)2{Mn(CO)3}2]·31H2O (H2.5[NH4]1.5W9Mn3BiO33[CO]3[H2O]20.5) Crystal Structure

General Information

  • Phase Label(s): H2.5[NH4]1.5W9Mn3BiO33[CO]3[H2O]20.5
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS308
  • Space Group: 12
  • Phase Prototype: H2.5[NH4]1.5W9Mn3BiO33[CO]3[H2O]20.5
  • Measurement Detail(s): automatic diffractometer (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 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; 346 variables; 3406 reflections; I > 2σ(I), R = 0.0509; wR = 0.1047
  • Sample Detail(s): sample prepared from Mn[CO]5Br, Na9[BiW9O33][H2O]16, Mn(CH3COO)2[H2O]4, NH4NO3, elemental analysis; 55.3 wt.% W, 5.67 wt.% Mn, 4.19 wt.% Bi, 2.67 wt.% C, 1.88 wt.% H, 0.46 wt.% N, single crystal (determination of cell parameters), single crystal, 0.11×0.18×0.31 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H2.5[NH4]1.5W9Mn3BiO33[CO]3[H2O]20.5
  • Alphabetic Formula: Bi[CO]3H2.5[H2O]20.5Mn3[NH4]1.5O33W9
  • Published Formula: (NH4)3H5[{Mn4(H2O)10}(β-BiW9O33)2{Mn(CO)3}2]·31H2O
  • Refined Formula: BiC3H47Mn3N1.50O56.50W9
  • Wyckoff Sequence: 12,j29i17hg
  • Z Formula Units: 4
  • Density: ρ = 3.45 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_1835850

  • 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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