Acta Crystallographica Section B

Structural Science

Volume 63, Part 2 (April 2007)


research papers



Acta Cryst. (2007). B63, 270-276    [ doi:10.1107/S0108768107003734 ]

Synthesis and structural characterization of BaV4O9

T. Reeswinkel, S. Prinz, K. M. Sparta and G. Roth

Abstract: The new spin ½ V4+ barium oxovanadate BaV4O9 was synthesized and studied by means of single-crystal X-ray diffraction. Its room-temperature structure is monoclinic, space group P2/c. We discuss the temperature evolution of the crystal structure and thermal expansion tensor of the material between 293 and 100 K.

Keywords: vanadate; spin ½; thermal expansion tensor.


hkldisplay filedownload file

Structure factor file (CIF format) (54.8 kbytes)
[ doi:10.1107/S0108768107003734/bm5044BaV4O9_293Ksup2.hkl ]
Contains datablock bav4o9_293


hkldisplay filedownload file

Structure factor file (CIF format) (54.5 kbytes)
[ doi:10.1107/S0108768107003734/bm5044BaV4O9_250Ksup3.hkl ]
Contains datablock bav4o9_250


hkldisplay filedownload file

Structure factor file (CIF format) (54.4 kbytes)
[ doi:10.1107/S0108768107003734/bm5044BaV4O9_200Ksup4.hkl ]
Contains datablock bav4o9_200


hkldisplay filedownload file

Structure factor file (CIF format) (54.2 kbytes)
[ doi:10.1107/S0108768107003734/bm5044BaV4O9_150Ksup5.hkl ]
Contains datablock bav4o9_150


hkldisplay filedownload file

Structure factor file (CIF format) (54.2 kbytes)
[ doi:10.1107/S0108768107003734/bm5044BaV4O9_100Ksup6.hkl ]
Contains datablock bav4o9_100


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