Materials Data on Sr3BPO3 by Materials Project
Sr3BPO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to three equivalent P3- and three equivalent O2- atoms. All Sr–P bond lengths are 3.32 Å. All Sr–O bond lengths are 2.54 Å. In the second Sr2+ site, Sr2+ is bonded to two equivalent P3- and six equivalent O2- atoms to form corner-sharing SrP2O6 hexagonal bipyramids. Both Sr–P bond lengths are 3.20 Å. All Sr–O bond lengths are 2.66 Å. B3+ is bonded in a trigonal planar geometry to three equivalent O2- atoms. All B–O bond lengths are 1.39 Å. P3- is bonded in a body-centered cubic geometry to eight Sr2+ atoms. O2- is bonded to four Sr2+ and one B3+ atom to form a mixture of distorted face, edge, and corner-sharing OSr4B trigonal bipyramids.