Inorganic Solid Phases

Li_6.4Ca_1.4La_1.6Sb₂O₁₂ (Li₆CaLa₂Sb₂O₁₂, T = 473 K) Crystal Structure

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General Information

Phase Label(s): Li₆CaLa₂Sb₂O₁₂
Structure Class(es): garnet family
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: cI304
Space Group: 230
Phase Prototype: Li₅La₃Ta₂O₁₂
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; United Kingdom, Chilton-Didcot, Rutherford Appleton Laboratory, ISIS Facility (determination of structural parameters), neutrons, time-of-flight (determination of cell and structural parameters), T = 473 K (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): oxide
Interpretation Detail(s): complete structure determined; temperature dependence studied, Rietveld refinement, multiphase, wR_P = 0.0206
Sample Detail(s): sample prepared from Ca[CO₃], La₂O₃, Sb₂O₅, Li[OH][H₂O], small amounts of Li₂[CO₃], powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Li_6.4Ca_1.4La_1.6Sb₂O₁₂
Alphabetic Formula: Ca_1.4La_1.6Li_6.4O₁₂Sb₂
Published Formula: Li_6.4Ca_1.4La_1.6Sb₂O₁₂
Refined Formula: Ca_1.40La_1.60Li_6.38O₁₂Sb₂
Wyckoff Sequence: 230,h²gdca
Z Formula Units: 8
Density: ρ = 4.80 Mg·m⁻³

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Crystallographic Data

Cell Parameters

	Published Data	Standardized Data
	Published Data	Unit Cell	Niggli-Reduced Cell
Space Group	Content available to subscribers To view content, please Log in, contact your Springer representative, or get a free trial
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_1603688

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 Li6.4Ca1.4La1.6Sb2O12 (Li6CaLa2Sb2O12, T = 473 K) Crystal Structure sd_1603688 (Springer-Verlag GmbH, Heidelberg, © 2016)

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