Inorganic Solid Phases

H₃C₆N₇(NH₂)₃(HSO₄)₃; melemium hydrogensulfate (H₃[C₆N₁₀H₉][SO₄]₃) Crystal Structure

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General Information

Phase Label(s): H₃[C₆N₁₀H₉][SO₄]₃
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: mP124
Space Group: 14
Phase Prototype: H₃[C₆N₁₀H₉][SO₄]₃
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE IPDS (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 293(2) K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): sulfate
Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F²; 328 variables; 2894 reflections; F² > 2σ(F²), R = 0.0371; wR = 0.0851
Sample Detail(s): sample prepared from melem, H₂SO₄, single crystal (determination of cell parameters), single crystal, 0.04×0.05×0.10 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: H₃[C₆N₁₀H₉][SO₄]₃
Alphabetic Formula: [C₆N₁₀H₉]H₃[SO₄]₃
Published Formula: H₃C₆N₇(NH₂)₃(HSO₄)₃; melemium hydrogensulfate
Refined Formula: C₆H₁₂N₁₀O₁₂S₃
Wyckoff Sequence: 14,e³¹
Z Formula Units: 4
Density: ρ = 1.91 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 U [nm²]	Type	Computed B_eq [nm²]
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Anisotropic

Site	U₁₁ [nm²]	U₂₂ [nm²]	U₃₃ [nm²]	U₁₂ [nm²]	U₁₃ [nm²]	U₂₃ [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_1931134

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 H3C6N7(NH2)3(HSO4)3; melemium hydrogensulfate (H3[C6N10H9][SO4]3) Crystal Structure sd_1931134 (Springer-Verlag GmbH, Heidelberg, © 2016)

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