Inorganic Solid Phases

Ni₃Cl_2.1(OH)_3.9·4H₂O (Ni₃Cl_2.1[OH]_3.9[H₂O]₄) Crystal Structure

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General Information

Phase Label(s): Ni₃Cl_2.1[OH]_3.9[H₂O]₄
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: mS26
Space Group: 12
Phase Prototype: Mg₃(Cl_0.33[H₂O]_0.67)₆[OH]₄
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE STADI P (determination of structural parameters), X-rays, Mo Kα₁; λ = 0.070930 nm (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): hydroxide, chloride, hydrate
Interpretation Detail(s): positions of non-H atoms determined, Rietveld refinement, R_P = 0.0215; wR_P = 0.0276; R_B = 0.073
Sample Detail(s): sample prepared from NaOH, NiCl₂[H₂O]₆, chemical analysis; Ni₃Cl_2.1[OH]_3.9[H₂O]₄, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ni₃Cl_2.1[OH]_3.9[H₂O]₄
Alphabetic Formula: Cl_2.1[H₂O]₄Ni₃[OH]_3.9
Published Formula: Ni₃Cl_2.1(OH)_3.9·4H₂O
Refined Formula: Cl_2.08H_11.93Ni₃O_7.92
Wyckoff Sequence: 12,i⁶a
Z Formula Units: 2
Density: ρ = 2.68 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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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_1641241

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 Ni3Cl2.1(OH)3.9·4H2O (Ni3Cl2.1[OH]3.9[H2O]4) Crystal Structure sd_1641241 (Springer-Verlag GmbH, Heidelberg, © 2016)

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