Inorganic Solid Phases

Ba₄Sm₇[Si₁₂N₂₃O][BN₃] (Ba₄Sm₇Si₁₂BN₂₆O) Crystal Structure

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General Information

Phase Label(s): Ba₄Sm₇Si₁₂BN₂₆O
Structure Class(es): –
Classification by Properties: nonmetal
Mineral Name(s): –
Pearson Symbol: hP51
Space Group: 174
Phase Prototype: Ba₄Pr₇Si₁₂BN₃(N_0.96O_0.04)₂₄
Measurement Detail(s): automatic diffractometer; 60 (determination of cell parameters), automatic diffractometer; Siemens P4 (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): borate, silicate
Interpretation Detail(s): complete structure determined; absolute structure determined, full-matrix least-squares refinement on F²; 98 variables; 4098 reflections; I > 2σ(I), R = 0.0415; wR = 0.0964
Sample Detail(s): sample prepared from Ba, Sm, Si[NH]₂, BaCO₃, poly(boron amide imide), elemental analysis, energy-dispersive X-ray analysis; B_2.11Ba_7.93N_51.09O_2.28Si_22.88Sm_13.70; composition confirmed, single crystal (determination of cell parameters), single crystal, 0.06×0.06×0.48 mm³ (determination of structural parameters)

Substance Summary

Standard Formula: Ba₄Sm₇Si₁₂BN₂₆O
Alphabetic Formula: BBa₄N₂₆OSi₁₂Sm₇
Published Formula: Ba₄Sm₇[Si₁₂N₂₃O][BN₃]
Refined Formula: BBa₄N_25.99O_1.01Si₁₂Sm₇
Wyckoff Sequence: 174,l²k⁵j⁷dba
Z Formula Units: 1
Density: ρ = 5.57 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_1812043

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 Ba4Sm7[Si12N23O][BN3] (Ba4Sm7Si12BN26O) Crystal Structure sd_1812043 (Springer-Verlag GmbH, Heidelberg, © 2016)

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Ba4Sm7[Si12N23O][BN3] (Ba4Sm7Si12BN26O) Crystal Structure

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General Information

Substance Summary

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Crystallographic Data

Cell Parameters

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Atom Coordinates

Standardized

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Published

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Displacement Parameters

Isotropic

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Anisotropic

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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

Cite this content

Download this citation

Ba₄Sm₇[Si₁₂N₂₃O][BN₃] (Ba₄Sm₇Si₁₂BN₂₆O) Crystal Structure