Inorganic Solid Phases

Cu_11.4Fe_0.6Sb₄S₁₃ (Cu₁₀Fe₂Sb₄S₁₃) Crystal Structure

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General Information

Phase Label(s): Cu₁₀Fe₂Sb₄S₁₃
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): tetrahedrite
Pearson Symbol: cI70
Space Group: 217
Phase Prototype: Cu₆(Cu_0.9Fe_0.1)₆Sb₄S₁₃
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; France, Grenoble, European Synchrotron Radiation Facility ESRF, SNBL, BM01B (determination of structural parameters), X-rays, synchrotron; λ = 0.037479 nm (determination of cell and structural parameters), T = 298 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): sulfide
Interpretation Detail(s): complete structure determined; composition dependence studied; temperature dependence studied, Rietveld refinement, multiphase; 12 variables, R_P = 0.0259; wR_P = 0.0188
Sample Detail(s): tetrahedrite sample from synthetic, sample prepared from Sb, S, Cu, Fe, amounts of Cu₃SbS₄, powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Cu_11.4Fe_0.6Sb₄S₁₃
Alphabetic Formula: Cu_11.4Fe_0.6S₁₃Sb₄
Published Formula: Cu_11.4Fe_0.6Sb₄S₁₃
Refined Formula: Cu_11.40Fe_0.60S₁₃Sb₄
Wyckoff Sequence: 217,g²dca
Z Formula Units: 2
Density: ρ = 5.00 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_1221095

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 Cu11.4Fe0.6Sb4S13 (Cu10Fe2Sb4S13) Crystal Structure sd_1221095 (Springer-Verlag GmbH, Heidelberg, © 2016)

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