Single-Crystal X-Ray Diffraction Studies of Homologues in the Series n Ba(Nb,Zr)O3+3m NbO with n=2, 3, 4, 5 and m=1
Single crystals of four homologues in the series n Ba(Nb,Zr)O{sub 3}+3m NbO, with n: m=2:1, 3:1, 4:1, and 5:1, were found in the reduced Ba-Nb-Zr-O system. Single-crystal X-ray diffraction data were collected for all the crystals. For all homologues the space group was found to be P4/mmm. The structures can be described as intergrowths of Ba(Nb,Zr)O{sub 3} perovskite and NbO slabs. The refined cell parameters and compositions of the 2:1, 3:1, and 4:1 homologues are a=4.1768(5) {angstrom} and c=12.269(2) {angstrom} for Ba{sub 2}Nb{sub 4.5(1)}Zr{sub 0.5(1)}O{sub 9}, a=4.1769(5) {angstrom} and c=16.493(3) {angstrom} for Ba{sub 3+{delta}}Nb{sub 4.8(2)-{delta}}Zr{sub 1.2(2) }O{sub 12-{delta}} ({delta}=0.098(4)), and a=4.1747(6) {angstrom} and c= 20.619(4) {angstrom} for Ba{sub 4+{delta}}Nb{sub 5.1(4)-{delta}}Zr{sub 1.9(4) }O{sub 15-{delta}} ({delta}=0.270(9)). The refined cell parameters of the 5:1 homologue are a=4.1727(3) {angstrom} and c=24.804(3) {angstrom}. Zr replaces Nb only in the NbO {sub 6} octahedra found in the perovskite slabs.
- Research Organization:
- Department of Inorganic Chemistry, Arrhenius Laboratory, Stockholm University, S-106 91, Stockholm (SE); Department of Structural Chemistry, Arrhenius Laboratory, Stockholm University, S-106 91, Stockholm (SE)
- Sponsoring Organization:
- Swedish Natural Science Research Council (US)
- OSTI ID:
- 784330
- Journal Information:
- Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 1 Vol. 156; ISSN 0022-4596; ISSN JSSCBI
- Country of Publication:
- United States
- Language:
- English
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