Inorganic Solid Phases

Ca₃La_3(1−x)Ce_3x(BO₃)₅, x= 0 (Ca₃La₃[BO₃]₅) Crystal Structure

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General Information

Phase Label(s): Ca₃La₃[BO₃]₅
Structure Class(es): –
Classification by Properties: –
Mineral Name(s): –
Pearson Symbol: hP52
Space Group: 186
Phase Prototype: (Na_0.6Ca_0.3)₃(Ba_0.17Sr_0.53Ca_0.15Ce_0.15)₃[CO₃]₅
Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Bruker AXS D8 ADVANCE (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
Phase Class(es): –
Compound Class(es): orthoborate
Interpretation Detail(s): complete structure determined, Rietveld refinement, multiphase, R_P = 0.0249; wR_P = 0.0373; R_B = 0.0078
Sample Detail(s): sample prepared from CaCO₃, H₃BO₃, La₂O₃, amounts of LaBO₃ (1.24 wt.%), powder (determination of cell and structural parameters)

Substance Summary

Standard Formula: Ca₃La₃[BO₃]₅
Alphabetic Formula: [BO₃]₅Ca₃La₃
Published Formula: Ca₃La_3(1−x)Ce_3x(BO₃)₅, x= 0
Refined Formula: B₅Ca₃La₃O₁₅
Wyckoff Sequence: 186,dc⁶ba
Z Formula Units: 2
Density: ρ = 4.49 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_1935364

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 Ca3La3(1−x)Ce3x(BO3)5, x= 0 (Ca3La3[BO3]5) Crystal Structure sd_1935364 (Springer-Verlag GmbH, Heidelberg, © 2016)

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