Syntheses, Structures, and Magnetism of Barium/ Rare-Earth/Bismuth Double Perovskites. Crystal Structures of Ba2MBiO6 (M = Ce, Pr, Nd, Tb, Yb) by Powder Neutron Diffraction

William T.A. Harrison, Kenneth P. Reis, Allan J. Jacobson, Lynn Schneemeyer, Joseph V. Waszczak

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Abstract

The series of double perovskites Ba2MBiO6 (M = Ce to Lu) have been synthesized and characterized by chemical analysis and powder X-ray diffraction. The crystal structures of Ba2MBiO6 (M = Ce, Pr, Nd, Tb, Yb) have been determined by Rietveld analysis of powder neutron diffraction data. Magnetic susceptibility data for the compounds with M - Ce, Pr, Nd, and Tb are reported. In Ba2CeBi06, the octahedral B cations are disordered, and magnetic susceptibility data indicate that cerium is present solely as CeIV in this phase. Crystal data: Mr = 719.78, orthorhombic, Pbnm (No. 62), a = 6.2158 (3) Å,b = 6.1793 (3) Å, c = 8.7286 (4) Å,V = 335.25 (3) Å3, Z = 2, Rp = 6.92%, Rwp = 8.64%, X2 = 1.22. Ba2- PrBiO6 shows ~75% ordering of the PrIII/PrIV and BiIII/Biv cations over two sites. This phase shows temperature-independent paramagnetism. Crystal data: Mr - 718.03, monoclinic, I2/m (No. 12), a = 6.2011 (2) Å, b = 6.1583 (2) Å, c = 8.6968 (3) Å, β - 89.922 (5)°, V = 332.12 (2) Å3, Z = 2,Rp - 7.87%, Rwp = 10.04%, X2 = 1.13. Ba2NdBiO6 contains fully ordered NdIII and Biv and is paramagnetic between 4.2 and 300 K. Crystal data: Mr - 723.90, monoclinic, I2/m (No. 12), a = 6.1776 (2) Å, b = 6.1366 (2) Å, c = 8.6686 (3) Å, β = 89.801 (2)°, V = 328.62 (3) Å3, Z = 2, Rp = 3.12%, Rwp = 4.34%, X2 = 1.28. Paramagnetic Ba2- TbBiO6 contains a mixture of TbIII and TbIV at the terbium site and BiIII and Biv at the bismuth site. Crystal data: Mr = 738.58, monoclinic, I2/m (No. 12), a = 6.1104 (2) Å, b = 6.0813 (3) Å, c = 8.5922 (4) Å, β = 89.97 (2)°, V = 319.28 (2) Å3, Z = 2, Rp = 6.76%, Rwp = 8.53%, X2 = 1.06. Ba2YbBiO6 contains YbIII on one octahedral site and Biv on the other. Crystal data: Mr = 752.69, trigonal R3 (No. 148), a = 6.0252 (2) Å, α = 60.037 (2)°, V = 154.797 (1) Å3, Z=1,Rp = 4.71%, Rwp = 5.90%, X2 = 1.87.

Original languageEnglish
Pages (from-to)2161-2167
Number of pages7
JournalChemistry of Materials
Volume7
Issue number11
DOIs
StatePublished - 1 Jan 1995

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Bismuth
Neutron powder diffraction
Magnetism
Barium
Rare earths
Crystal structure
Crystals
Magnetic susceptibility
Cations
Positive ions
Terbium
Cerium
Paramagnetism
Rietveld analysis
X ray powder diffraction
Chemical analysis
Temperature

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@article{7423f0330f2149bbae26f05ce44aad97,
title = "Syntheses, Structures, and Magnetism of Barium/ Rare-Earth/Bismuth Double Perovskites. Crystal Structures of Ba2MBiO6 (M = Ce, Pr, Nd, Tb, Yb) by Powder Neutron Diffraction",
abstract = "The series of double perovskites Ba2MBiO6 (M = Ce to Lu) have been synthesized and characterized by chemical analysis and powder X-ray diffraction. The crystal structures of Ba2MBiO6 (M = Ce, Pr, Nd, Tb, Yb) have been determined by Rietveld analysis of powder neutron diffraction data. Magnetic susceptibility data for the compounds with M - Ce, Pr, Nd, and Tb are reported. In Ba2CeBi06, the octahedral B cations are disordered, and magnetic susceptibility data indicate that cerium is present solely as CeIV in this phase. Crystal data: Mr = 719.78, orthorhombic, Pbnm (No. 62), a = 6.2158 (3) {\AA},b = 6.1793 (3) {\AA}, c = 8.7286 (4) {\AA},V = 335.25 (3) {\AA}3, Z = 2, Rp = 6.92{\%}, Rwp = 8.64{\%}, X2 = 1.22. Ba2- PrBiO6 shows ~75{\%} ordering of the PrIII/PrIV and BiIII/Biv cations over two sites. This phase shows temperature-independent paramagnetism. Crystal data: Mr - 718.03, monoclinic, I2/m (No. 12), a = 6.2011 (2) {\AA}, b = 6.1583 (2) {\AA}, c = 8.6968 (3) {\AA}, β - 89.922 (5)°, V = 332.12 (2) {\AA}3, Z = 2,Rp - 7.87{\%}, Rwp = 10.04{\%}, X2 = 1.13. Ba2NdBiO6 contains fully ordered NdIII and Biv and is paramagnetic between 4.2 and 300 K. Crystal data: Mr - 723.90, monoclinic, I2/m (No. 12), a = 6.1776 (2) {\AA}, b = 6.1366 (2) {\AA}, c = 8.6686 (3) {\AA}, β = 89.801 (2)°, V = 328.62 (3) {\AA}3, Z = 2, Rp = 3.12{\%}, Rwp = 4.34{\%}, X2 = 1.28. Paramagnetic Ba2- TbBiO6 contains a mixture of TbIII and TbIV at the terbium site and BiIII and Biv at the bismuth site. Crystal data: Mr = 738.58, monoclinic, I2/m (No. 12), a = 6.1104 (2) {\AA}, b = 6.0813 (3) {\AA}, c = 8.5922 (4) {\AA}, β = 89.97 (2)°, V = 319.28 (2) {\AA}3, Z = 2, Rp = 6.76{\%}, Rwp = 8.53{\%}, X2 = 1.06. Ba2YbBiO6 contains YbIII on one octahedral site and Biv on the other. Crystal data: Mr = 752.69, trigonal R3 (No. 148), a = 6.0252 (2) {\AA}, α = 60.037 (2)°, V = 154.797 (1) {\AA}3, Z=1,Rp = 4.71{\%}, Rwp = 5.90{\%}, X2 = 1.87.",
author = "Harrison, {William T.A.} and Reis, {Kenneth P.} and Jacobson, {Allan J.} and Lynn Schneemeyer and Waszczak, {Joseph V.}",
year = "1995",
month = "1",
day = "1",
doi = "10.1021/cm00059a025",
language = "English",
volume = "7",
pages = "2161--2167",
journal = "Chemistry of Materials",
issn = "0897-4756",
publisher = "American Chemical Society",
number = "11",

}

Syntheses, Structures, and Magnetism of Barium/ Rare-Earth/Bismuth Double Perovskites. Crystal Structures of Ba2MBiO6 (M = Ce, Pr, Nd, Tb, Yb) by Powder Neutron Diffraction. / Harrison, William T.A.; Reis, Kenneth P.; Jacobson, Allan J.; Schneemeyer, Lynn; Waszczak, Joseph V.

In: Chemistry of Materials, Vol. 7, No. 11, 01.01.1995, p. 2161-2167.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Syntheses, Structures, and Magnetism of Barium/ Rare-Earth/Bismuth Double Perovskites. Crystal Structures of Ba2MBiO6 (M = Ce, Pr, Nd, Tb, Yb) by Powder Neutron Diffraction

AU - Harrison, William T.A.

AU - Reis, Kenneth P.

AU - Jacobson, Allan J.

AU - Schneemeyer, Lynn

AU - Waszczak, Joseph V.

PY - 1995/1/1

Y1 - 1995/1/1

N2 - The series of double perovskites Ba2MBiO6 (M = Ce to Lu) have been synthesized and characterized by chemical analysis and powder X-ray diffraction. The crystal structures of Ba2MBiO6 (M = Ce, Pr, Nd, Tb, Yb) have been determined by Rietveld analysis of powder neutron diffraction data. Magnetic susceptibility data for the compounds with M - Ce, Pr, Nd, and Tb are reported. In Ba2CeBi06, the octahedral B cations are disordered, and magnetic susceptibility data indicate that cerium is present solely as CeIV in this phase. Crystal data: Mr = 719.78, orthorhombic, Pbnm (No. 62), a = 6.2158 (3) Å,b = 6.1793 (3) Å, c = 8.7286 (4) Å,V = 335.25 (3) Å3, Z = 2, Rp = 6.92%, Rwp = 8.64%, X2 = 1.22. Ba2- PrBiO6 shows ~75% ordering of the PrIII/PrIV and BiIII/Biv cations over two sites. This phase shows temperature-independent paramagnetism. Crystal data: Mr - 718.03, monoclinic, I2/m (No. 12), a = 6.2011 (2) Å, b = 6.1583 (2) Å, c = 8.6968 (3) Å, β - 89.922 (5)°, V = 332.12 (2) Å3, Z = 2,Rp - 7.87%, Rwp = 10.04%, X2 = 1.13. Ba2NdBiO6 contains fully ordered NdIII and Biv and is paramagnetic between 4.2 and 300 K. Crystal data: Mr - 723.90, monoclinic, I2/m (No. 12), a = 6.1776 (2) Å, b = 6.1366 (2) Å, c = 8.6686 (3) Å, β = 89.801 (2)°, V = 328.62 (3) Å3, Z = 2, Rp = 3.12%, Rwp = 4.34%, X2 = 1.28. Paramagnetic Ba2- TbBiO6 contains a mixture of TbIII and TbIV at the terbium site and BiIII and Biv at the bismuth site. Crystal data: Mr = 738.58, monoclinic, I2/m (No. 12), a = 6.1104 (2) Å, b = 6.0813 (3) Å, c = 8.5922 (4) Å, β = 89.97 (2)°, V = 319.28 (2) Å3, Z = 2, Rp = 6.76%, Rwp = 8.53%, X2 = 1.06. Ba2YbBiO6 contains YbIII on one octahedral site and Biv on the other. Crystal data: Mr = 752.69, trigonal R3 (No. 148), a = 6.0252 (2) Å, α = 60.037 (2)°, V = 154.797 (1) Å3, Z=1,Rp = 4.71%, Rwp = 5.90%, X2 = 1.87.

AB - The series of double perovskites Ba2MBiO6 (M = Ce to Lu) have been synthesized and characterized by chemical analysis and powder X-ray diffraction. The crystal structures of Ba2MBiO6 (M = Ce, Pr, Nd, Tb, Yb) have been determined by Rietveld analysis of powder neutron diffraction data. Magnetic susceptibility data for the compounds with M - Ce, Pr, Nd, and Tb are reported. In Ba2CeBi06, the octahedral B cations are disordered, and magnetic susceptibility data indicate that cerium is present solely as CeIV in this phase. Crystal data: Mr = 719.78, orthorhombic, Pbnm (No. 62), a = 6.2158 (3) Å,b = 6.1793 (3) Å, c = 8.7286 (4) Å,V = 335.25 (3) Å3, Z = 2, Rp = 6.92%, Rwp = 8.64%, X2 = 1.22. Ba2- PrBiO6 shows ~75% ordering of the PrIII/PrIV and BiIII/Biv cations over two sites. This phase shows temperature-independent paramagnetism. Crystal data: Mr - 718.03, monoclinic, I2/m (No. 12), a = 6.2011 (2) Å, b = 6.1583 (2) Å, c = 8.6968 (3) Å, β - 89.922 (5)°, V = 332.12 (2) Å3, Z = 2,Rp - 7.87%, Rwp = 10.04%, X2 = 1.13. Ba2NdBiO6 contains fully ordered NdIII and Biv and is paramagnetic between 4.2 and 300 K. Crystal data: Mr - 723.90, monoclinic, I2/m (No. 12), a = 6.1776 (2) Å, b = 6.1366 (2) Å, c = 8.6686 (3) Å, β = 89.801 (2)°, V = 328.62 (3) Å3, Z = 2, Rp = 3.12%, Rwp = 4.34%, X2 = 1.28. Paramagnetic Ba2- TbBiO6 contains a mixture of TbIII and TbIV at the terbium site and BiIII and Biv at the bismuth site. Crystal data: Mr = 738.58, monoclinic, I2/m (No. 12), a = 6.1104 (2) Å, b = 6.0813 (3) Å, c = 8.5922 (4) Å, β = 89.97 (2)°, V = 319.28 (2) Å3, Z = 2, Rp = 6.76%, Rwp = 8.53%, X2 = 1.06. Ba2YbBiO6 contains YbIII on one octahedral site and Biv on the other. Crystal data: Mr = 752.69, trigonal R3 (No. 148), a = 6.0252 (2) Å, α = 60.037 (2)°, V = 154.797 (1) Å3, Z=1,Rp = 4.71%, Rwp = 5.90%, X2 = 1.87.

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