Inorganic Solid Phases

K3[Mn3(μ-CO)2(CO)10] (K3Mn3[CO]12[H2O]) Crystal Structure

General Information

  • Phase Label(s): K3Mn3[CO]12[H2O]
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mP124
  • Space Group: 14
  • Phase Prototype: K3Mn3[CO]12[H2O]
  • Measurement Detail(s): automatic diffractometer; Syntex R3 (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonyl, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 2206 reflections; I > 2.5σ(I), R = 0.038; wR = 0.031
  • Sample Detail(s): sample prepared from Mn2[CO]10, KOH, single crystal, 0.17×0.22×0.50 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: K3Mn3[CO]12[H2O]
  • Alphabetic Formula: [CO]12[H2O]K3Mn3
  • Published Formula: K3[Mn3(μ-CO)2(CO)10]
  • Refined Formula: C12H2K3Mn3O13
  • Wyckoff Sequence: 14,e31
  • Z Formula Units: 4
  • Density: ρ = 2.19 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]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1712684

  • 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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