Inorganic Solid Phases

Li₃Cr₄PO₁₆·3H₂O (Li₃Cr₄[PO₄]₁₂[H₂O]₃) Crystal Structure

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General Information

Phase Label(s): Li₃Cr₄[PO₄]₁₂[H₂O]₃
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: mS54
Space Group: 8
Phase Prototype: Li₃Cr₄[PO₄]O₁₂[H₂O]₃
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; DRON-1.5 (determination of structural parameters), X-rays, Mo Kα (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): orthophosphate, hydrate
Interpretation Detail(s): positions of non-H atoms determined, least-squares refinement; 720 reflections, R = 0.083
Sample Detail(s): single crystal (determination of cell parameters), single crystal, 0.25 mm diameter (determination of structural parameters)

Substance Summary

Standard Formula: Li₃Cr₄[PO₄]O₁₂[H₂O]₃
Alphabetic Formula: Cr₄[H₂O]₃Li₃O₁₂[PO₄]
Published Formula: Li₃Cr₄PO₁₆·3H₂O
Refined Formula: Cr₄H₆Li₃O₁₉P
Wyckoff Sequence: 8,b⁹a⁹
Z Formula Units: 2
Density: ρ = 2.27 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 B [nm²]	Type	Computed B_eq [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_1812815

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 Li3Cr4PO16·3H2O (Li3Cr4[PO4]12[H2O]3) Crystal Structure sd_1812815 (Springer-Verlag GmbH, Heidelberg, © 2016)

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