The space group and crystal structure of trizinc diorthoborate

Abstract
The structure of trizinc diorthoborate is shown to crystallize in the centrosymmetric space group I2/c, and not in Ic as assumed by Garcia-Blanco and Fayos (1968) who determined the structure originally. The new refinement yielded an R = 0.133 for 787 Fobs, as compared to R = 0.132 achieved by the previous authors. The bond lengths and angles in the centrosymmetric structure agree well with values for comparable bonds in well determined structures, while the acentric structure exhibits some unusual distortions from the commonly accepted values.

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