Inorganic Solid Phases

[Co(NH₃)₅Br]Br₂ (CoBr₃[NH₃]₅) Crystal Structure

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General Information

Phase Label(s): CoBr₃[NH₃]₅
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: oP36
Space Group: 62
Phase Prototype: RuCl₃[NH₃]₅
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Rigaku D/MAX-rB (determination of structural parameters), X-rays, Cu Kα₁; λ = 0.15406 nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): bromide
Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement; 45 variables; 329 reflections, R = 0.041; R_P = 0.066; wR_P = 0.090; R_B = 0.042
Sample Detail(s): powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: CoBr₃[NH₃]₅
Alphabetic Formula: Br₃Co[NH₃]₅
Published Formula: [Co(NH₃)₅Br]Br₂
Refined Formula: Br₃CoH₁₅N₅
Wyckoff Sequence: 62,d²c⁵
Z Formula Units: 4
Density: ρ = 2.51 Mg·m⁻³

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Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
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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.
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Published

Site	Element	Wyckoff Symbol	Symmetry	X	Y	Z	Occupation
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Displacement Parameters

Isotropic

Site	Published B [nm²]	Type	Computed B_eq [nm²]
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Powder Pattern

published defraction line 2θ [°]	computed diffraction line for Cu Kα d [nm]	intensity I [1]	h [1]	k [1]	l [1]	Radiation	Remark
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Experimental Details

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Reference

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3D Interactive Structure

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About this content

Database name

PAULING FILE Multinaries Edition – 2012

Dataset ID

sd_1829923

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.

Project Coordinator: Shuichi Iwata

Section-Editor: Karin Cenzual (Crystal Structures)

Cite this content

Pierre Villars (Chief Editor), PAULING FILE in: Inorganic Solid Phases, SpringerMaterials (online database), Springer, Heidelberg (ed.) SpringerMaterials [Co(NH3)5Br]Br2 (CoBr3[NH3]5) Crystal Structure sd_1829923 (Springer-Verlag GmbH, Heidelberg, © 2016)

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