Inorganic Solid Phases

Ca_1−xLa_xAg_1−ySb, x= 0.11, y= 0.08 (Ca_0.89Ag_0.92La_0.11Sb hex) Crystal Structure

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General Information

Phase Label(s): Ca_0.89Ag_0.92La_0.11Sb hex
Structure Class(es): AlB₂ family
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: hP6
Space Group: 186
Phase Prototype: LiGaGe
Measurement Detail(s): automatic diffractometer; 150 (determination of cell parameters), automatic diffractometer; Bruker AXS SMART APEX II (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): intermetallic
Interpretation Detail(s): complete structure determined; absolute structure determined, full-matrix least-squares refinement on F²; 14 variables; 139 reflections; I > 2σ(I), R = 0.0256; wR = 0.0607
Sample Detail(s): sample prepared from Ca, Ag, Sb, La, energy-dispersive X-ray analysis; Ca_0.89La_0.08Ag_0.91Sb, single crystal (determination of cell parameters), single crystal, 0.03×0.05×0.06 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Ca_0.89Ag_0.92La_0.11Sb
Alphabetic Formula: Ag_0.92Ca_0.89La_0.11Sb
Published Formula: Ca_1−xLa_xAg_1−ySb, x= 0.11, y= 0.08
Refined Formula: Ag_0.92Ca_0.89La_0.11Sb
Wyckoff Sequence: 186,b²a
Z Formula Units: 2
Density: ρ = 6.05 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_1939244

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 Ca1−xLaxAg1−ySb, x= 0.11, y= 0.08 (Ca0.89Ag0.92La0.11Sb hex) Crystal Structure sd_1939244 (Springer-Verlag GmbH, Heidelberg, © 2016)

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