| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1504528 | Solid State Sciences | 2013 | 4 Pages |
•Ba2BO3Br and Ba3BO3Br3 have been grown by spontaneous crystallization.•Ba2BO3Br is a stoichiometric compound with intergrowth structure as designed.•Ba2BO3Br is composed by stacking of [Ba2(BO3)2]2− and [Ba2Br2]2+ slabs.•Ba3BO3Br3 crystallizes in P−1 with zero dimensional [Ba12(BO3)4]12+ clusters.
Two new barium borate bromide crystals, Ba2BO3Br and Ba3BO3Br3, have been obtained by spontaneous crystallization. Ba2BO3Br crystallizes in P−3m1 space group, with cell parameters of a = 5.5157(10) Å, c = 11.019(4) Å, and Z = 2, its structure is build up by alternately stacking along c-axis of [Ba2(BO3)2]2− layers and bromide [Ba2Br2]2+ layers. The solved structure is analog to Ba2(BO3)1−x(CO3)xCl1+x except the interstitial halogen atoms at (0, 0, 1/2) is missing and accordingly the partly CO3 substitution for BO3 has not been observed. Ba3BO3Br3 crystallizes in a new structure type with P−1 space group and cell parameters of a = 9.280(4) Å, b = 9.349(7) Å, c = 13.025(9) Å, α = 92.71(3)°, β = 98.29(3)°, γ = 116.200(18)° and Z = 4. The basic structural unit in Ba3BO3Br3 is the clusters composed of 4 BO3 groups and 12 Ba atoms, which in turn are linked by eight Ba–O bonds with other four clusters to form sheets extend in the (001) plane.
Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slide
