Materials Data on Co3P by Materials Project
Co3P crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. there are three inequivalent Co1+ sites. In the first Co1+ site, Co1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent P3- atoms. There are a spread of Co–P bond distances ranging from 2.21–2.34 Å. In the second Co1+ site, Co1+ is bonded in a water-like geometry to two equivalent P3- atoms. There are one shorter (2.23 Å) and one longer (2.36 Å) Co–P bond lengths. In the third Co1+ site, Co1+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. There are a spread of Co–P bond distances ranging from 2.24–2.32 Å. P3- is bonded in a 9-coordinate geometry to nine Co1+ atoms.
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