Materials Data on Ba2P3Pd by Materials Project
Ba2PdP3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine P+2.67- atoms. There are a spread of Ba–P bond distances ranging from 3.31–3.71 Å. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine P+2.67- atoms. There are a spread of Ba–P bond distances ranging from 3.33–3.65 Å. Pd4+ is bonded in a trigonal planar geometry to three P+2.67- atoms. There are a spread of Pd–P bond distances ranging from 2.38–2.42 Å. There are three inequivalent P+2.67- sites. In the first P+2.67- site, P+2.67- is bonded in a 8-coordinate geometry to six Ba2+ and two P+2.67- atoms. There are one shorter (2.18 Å) and one longer (2.26 Å) P–P bond lengths. In the second P+2.67- site, P+2.67- is bonded in a 8-coordinate geometry to six Ba2+, one Pd4+, and one P+2.67- atom. In the third P+2.67- site, P+2.67- is bonded in a 9-coordinate geometry to six Ba2+, two equivalent Pd4+, and one P+2.67- atom.