Synthesis, structure, and properties of BaAl2Si2

Cathie L. Condron, Håkon Hope, Paula M B Piccoli, Arthur J. Schultz, Susan M. Kauzlarich

Research output: Contribution to journalArticle

25 Citations (Scopus)

Abstract

Single crystals of BaAl2Si2 were grown from an Al molten flux and characterized using single-crystal X-ray diffraction at 10 and 90 K and neutron diffraction at room temperature. BaAl2Si2 crystallizes with the α-BaCu2S2 structure type (Prima), is isostructural with α-BaAl2Ge2, and is an open 3D framework compound, where Al and Si form a covalent cagelike network with Ba2+ cations residing in the cages. BaAl2Si 2 has a unit cell of a = 10.070(3) Å, b = 4.234(1) Å, and c = 10.866(3) Å, as determined by room-temperature single-crystal neutron diffraction (R1 - 0.0533, wR2 = 0.1034). The structure as determined by single-crystal neutron and X-ray diffraction (10 and 90 K) indicates that BaAl2Si2 (Prima) is strictly isostructural to other (α)-BaCu2S2-type structures, requiring site specificity for Al and Si. Unlike BaAl2Ge2, no evidence for an a to B (BaZn2P2-type, I4A/mmm) phase transition was observed. This compound shows metallic electronic resistivity and Pauli paramagnetic behavior.

Original languageEnglish (US)
Pages (from-to)4523-4529
Number of pages7
JournalInorganic Chemistry
Volume46
Issue number11
DOIs
StatePublished - May 28 2007

Fingerprint

Single crystals
single crystals
Neutron diffraction
synthesis
neutron diffraction
diffraction
Metallic compounds
X ray diffraction
room temperature
Cations
Molten materials
Neutrons
x rays
Phase transitions
Fluxes
cations
neutrons
Temperature
electrical resistivity
cells

ASJC Scopus subject areas

  • Inorganic Chemistry

Cite this

Condron, C. L., Hope, H., Piccoli, P. M. B., Schultz, A. J., & Kauzlarich, S. M. (2007). Synthesis, structure, and properties of BaAl2Si2 Inorganic Chemistry, 46(11), 4523-4529. https://doi.org/10.1021/ic070078h

Synthesis, structure, and properties of BaAl2Si2 . / Condron, Cathie L.; Hope, Håkon; Piccoli, Paula M B; Schultz, Arthur J.; Kauzlarich, Susan M.

In: Inorganic Chemistry, Vol. 46, No. 11, 28.05.2007, p. 4523-4529.

Research output: Contribution to journalArticle

Condron, CL, Hope, H, Piccoli, PMB, Schultz, AJ & Kauzlarich, SM 2007, 'Synthesis, structure, and properties of BaAl2Si2 ', Inorganic Chemistry, vol. 46, no. 11, pp. 4523-4529. https://doi.org/10.1021/ic070078h
Condron CL, Hope H, Piccoli PMB, Schultz AJ, Kauzlarich SM. Synthesis, structure, and properties of BaAl2Si2 Inorganic Chemistry. 2007 May 28;46(11):4523-4529. https://doi.org/10.1021/ic070078h
Condron, Cathie L. ; Hope, Håkon ; Piccoli, Paula M B ; Schultz, Arthur J. ; Kauzlarich, Susan M. / Synthesis, structure, and properties of BaAl2Si2 In: Inorganic Chemistry. 2007 ; Vol. 46, No. 11. pp. 4523-4529.
@article{f7153babb7674622a0fd6c6eda1bfc8e,
title = "Synthesis, structure, and properties of BaAl2Si2",
abstract = "Single crystals of BaAl2Si2 were grown from an Al molten flux and characterized using single-crystal X-ray diffraction at 10 and 90 K and neutron diffraction at room temperature. BaAl2Si2 crystallizes with the α-BaCu2S2 structure type (Prima), is isostructural with α-BaAl2Ge2, and is an open 3D framework compound, where Al and Si form a covalent cagelike network with Ba2+ cations residing in the cages. BaAl2Si 2 has a unit cell of a = 10.070(3) {\AA}, b = 4.234(1) {\AA}, and c = 10.866(3) {\AA}, as determined by room-temperature single-crystal neutron diffraction (R1 - 0.0533, wR2 = 0.1034). The structure as determined by single-crystal neutron and X-ray diffraction (10 and 90 K) indicates that BaAl2Si2 (Prima) is strictly isostructural to other (α)-BaCu2S2-type structures, requiring site specificity for Al and Si. Unlike BaAl2Ge2, no evidence for an a to B (BaZn2P2-type, I4A/mmm) phase transition was observed. This compound shows metallic electronic resistivity and Pauli paramagnetic behavior.",
author = "Condron, {Cathie L.} and H{\aa}kon Hope and Piccoli, {Paula M B} and Schultz, {Arthur J.} and Kauzlarich, {Susan M.}",
year = "2007",
month = "5",
day = "28",
doi = "10.1021/ic070078h",
language = "English (US)",
volume = "46",
pages = "4523--4529",
journal = "Inorganic Chemistry",
issn = "0020-1669",
publisher = "American Chemical Society",
number = "11",

}

TY - JOUR

T1 - Synthesis, structure, and properties of BaAl2Si2

AU - Condron, Cathie L.

AU - Hope, Håkon

AU - Piccoli, Paula M B

AU - Schultz, Arthur J.

AU - Kauzlarich, Susan M.

PY - 2007/5/28

Y1 - 2007/5/28

N2 - Single crystals of BaAl2Si2 were grown from an Al molten flux and characterized using single-crystal X-ray diffraction at 10 and 90 K and neutron diffraction at room temperature. BaAl2Si2 crystallizes with the α-BaCu2S2 structure type (Prima), is isostructural with α-BaAl2Ge2, and is an open 3D framework compound, where Al and Si form a covalent cagelike network with Ba2+ cations residing in the cages. BaAl2Si 2 has a unit cell of a = 10.070(3) Å, b = 4.234(1) Å, and c = 10.866(3) Å, as determined by room-temperature single-crystal neutron diffraction (R1 - 0.0533, wR2 = 0.1034). The structure as determined by single-crystal neutron and X-ray diffraction (10 and 90 K) indicates that BaAl2Si2 (Prima) is strictly isostructural to other (α)-BaCu2S2-type structures, requiring site specificity for Al and Si. Unlike BaAl2Ge2, no evidence for an a to B (BaZn2P2-type, I4A/mmm) phase transition was observed. This compound shows metallic electronic resistivity and Pauli paramagnetic behavior.

AB - Single crystals of BaAl2Si2 were grown from an Al molten flux and characterized using single-crystal X-ray diffraction at 10 and 90 K and neutron diffraction at room temperature. BaAl2Si2 crystallizes with the α-BaCu2S2 structure type (Prima), is isostructural with α-BaAl2Ge2, and is an open 3D framework compound, where Al and Si form a covalent cagelike network with Ba2+ cations residing in the cages. BaAl2Si 2 has a unit cell of a = 10.070(3) Å, b = 4.234(1) Å, and c = 10.866(3) Å, as determined by room-temperature single-crystal neutron diffraction (R1 - 0.0533, wR2 = 0.1034). The structure as determined by single-crystal neutron and X-ray diffraction (10 and 90 K) indicates that BaAl2Si2 (Prima) is strictly isostructural to other (α)-BaCu2S2-type structures, requiring site specificity for Al and Si. Unlike BaAl2Ge2, no evidence for an a to B (BaZn2P2-type, I4A/mmm) phase transition was observed. This compound shows metallic electronic resistivity and Pauli paramagnetic behavior.

UR - http://www.scopus.com/inward/record.url?scp=34250753874&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=34250753874&partnerID=8YFLogxK

U2 - 10.1021/ic070078h

DO - 10.1021/ic070078h

M3 - Article

C2 - 17469815

AN - SCOPUS:34250753874

VL - 46

SP - 4523

EP - 4529

JO - Inorganic Chemistry

JF - Inorganic Chemistry

SN - 0020-1669

IS - 11

ER -