Inorganic Solid Phases

(CO)3MnB8H13 (H13MnB8[CO]3) Crystal Structure

General Information

  • Phase Label(s): H13MnB8[CO]3
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: oP60
  • Space Group: 62
  • Phase Prototype: H13MnB8[CO]3
  • Measurement Detail(s): automatic diffractometer; Syntex P1 (determination of structural parameters), X-rays, Mo Kα (determination of structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonyl, borane
  • Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement; 928 reflections; I > 2σ(I), R = 0.033; wR = 0.041
  • Sample Detail(s): sample prepared from KB9H14, Mn[CO]5Br, single crystal, 0.15×0.28×0.28 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H13MnB8[CO]3
  • Alphabetic Formula: B8[CO]3H13Mn
  • Published Formula: (CO)3MnB8H13
  • Refined Formula: B8C3H13MnO3
  • Wyckoff Sequence: 62,d5c5
  • Z Formula Units: 4
  • Density: ρ = 1.29 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
B [nm2]
Type
Computed
Beq [nm2]

Anisotropic

Site
β11 [nm2]
β22 [nm2]
β33 [nm2]
β12 [nm2]
β13 [nm2]
β23 [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1906751

  • 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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