Inorganic Solid Phases

H[{Mn(H2O)4}2Ru2(CO3)4Br2]·6H2O (H0.5MnRu[CO3]2Br[H2O]7) Crystal Structure

General Information

  • Phase Label(s): H0.5MnRu[CO3]2Br[H2O]7
  • Structure Class(es):
  • Classification by Properties:
  • Mineral Name(s):
  • Pearson Symbol: mS144
  • Space Group: 12
  • Phase Prototype: H0.5MnRu[CO3]2Br[H2O]7
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku (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 and structural parameters)
  • Phase Class(es):
  • Compound Class(es): carbonate, bromide, hydrate
  • Interpretation Detail(s): positions of non-H atoms determined, full-matrix least-squares refinement on F2; 171 variables; 2147 reflections; I > 2σ(I), R = 0.0408; wR = 0.1212
  • Sample Detail(s): sample prepared from K3[Ru2[CO3]4]3[H2O]4, LiBr[H2O], Mn(CH3CO2)2[H2O]4, chemical analysis; 4.80 wt.% C, 3.20 wt.% H, 11.50 wt.% Mn, 21.00 wt.% Ru, single crystal (determination of cell parameters), single crystal, 0.06×0.10×0.13 mm3 (determination of structural parameters)

Substance Summary

  • Standard Formula: H0.5MnRu[CO3]2Br[H2O]7
  • Alphabetic Formula: Br[CO3]2H0.5[H2O]7MnRu
  • Published Formula: H[{Mn(H2O)4}2Ru2(CO3)4Br2]·6H2O
  • Refined Formula: BrC2H14MnO13Ru
  • Wyckoff Sequence: 12,j15i5g
  • Z Formula Units: 8
  • Density: ρ = 2.32 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_1142000

  • 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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