Materials Data on K2GaP2 by Materials Project
K2GaP2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to four P+2.50- atoms. There are a spread of K–P bond distances ranging from 3.22–3.33 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six P+2.50- atoms. There are a spread of K–P bond distances ranging from 3.39–3.67 Å. In the third K1+ site, K1+ is bonded in a 2-coordinate geometry to five P+2.50- atoms. There are a spread of K–P bond distances ranging from 3.23–3.61 Å. In the fourth K1+ site, K1+ is bonded in a 5-coordinate geometry to five P+2.50- atoms. There are a spread of K–P bond distances ranging from 3.29–3.52 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three P+2.50- atoms. There are one shorter (2.31 Å) and two longer (2.33 Å) Ga–P bond lengths. In the second Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three P+2.50- atoms. There are two shorter (2.31 Å) and one longer (2.34 Å) Ga–P bond lengths. There are four inequivalent P+2.50- sites. In the first P+2.50- site, P+2.50- is bonded in a 1-coordinate geometry to five K1+, one Ga3+, and one P+2.50- atom. The P–P bond length is 2.22 Å. In the second P+2.50- site, P+2.50- is bonded in a 1-coordinate geometry to five K1+, one Ga3+, and one P+2.50- atom. In the third P+2.50- site, P+2.50- is bonded in a 7-coordinate geometry to five K1+ and two Ga3+ atoms. In the fourth P+2.50- site, P+2.50- is bonded in a 2-coordinate geometry to five K1+ and two Ga3+ atoms.