Inorganic Solid Phases

Ag₉Hg_0.5As₆S₁₂Te₂ (Ag₉Hg_0.5As₆Te₂S₁₂) Crystal Structure

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General Information

Phase Label(s): Ag₉Hg_0.5As₆Te₂S₁₂
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): debattistiite
Pearson Symbol: aP31
Space Group: 2
Phase Prototype: Ag₉Hg_0.5As₆Te₂S₁₂
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; STOE STADI 4 (determination of structural parameters), X-rays, Mo Kα; λ = 0.071073 nm (determination of cell and structural parameters), T = 298(3) K (determination of cell parameters)
Phase Class(es): –
Compound Class(es): sulfide, telluride
Interpretation Detail(s): complete structure determined, full-matrix least-squares refinement on F²; 133 variables; 795 reflections; I > 2σ(I), R = 0.0826; wR = 0.1733
Sample Detail(s): debattistiite sample from Switzerland, Valais (Wallis), Binntal, Lengenbach, electron microprobe analysis; Ag_9.02Hg_0.49As_6.012S_11.98Te_2.01, single crystal (determination of cell parameters), single crystal, 0.040×0.050×0.070 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Ag₉Hg_0.5As₆Te₂S₁₂
Alphabetic Formula: Ag₉As₆Hg_0.5S₁₂Te₂
Published Formula: Ag₉Hg_0.5As₆S₁₂Te₂
Refined Formula: Ag₉As₆Hg_0.50S_12.14Te_1.86
Wyckoff Sequence: 2,i¹⁵c
Z Formula Units: 1
Density: ρ = 5.65 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_1228903

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 Ag9Hg0.5As6S12Te2 (Ag9Hg0.5As6Te2S12) Crystal Structure sd_1228903 (Springer-Verlag GmbH, Heidelberg, © 2016)

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Ag9Hg0.5As6S12Te2 (Ag9Hg0.5As6Te2S12) Crystal Structure

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General Information

Substance Summary

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Crystallographic Data

Cell Parameters

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Atom Coordinates

Standardized

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Published

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Displacement Parameters

Isotropic

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Anisotropic

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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

Cite this content

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Ag₉Hg_0.5As₆S₁₂Te₂ (Ag₉Hg_0.5As₆Te₂S₁₂) Crystal Structure