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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K6InP3 by Materials Project

K6InP3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are six inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to one K1+ and four P3- atoms. The K–K bond length is 3.43 Å. There are a spread of K–P bond distances ranging from 3.29–3.68 Å. In the second K1+ site, K1+ is bonded to four P3- atoms to form a mixture of distorted edge and corner-sharing KP4 tetrahedra. There are a spread of K–P bond distances ranging from 3.24–3.46 Å. In the third K1+ site, K1+ is bonded in a 6-coordinate geometry to two K1+ and four P3- atoms. The K–K bond length is 3.39 Å. There are a spread of K–P bond distances ranging from 3.33–3.67 Å. In the fourth K1+ site, K1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of K–P bond distances ranging from 3.29–3.60 Å. In the fifth K1+ site, K1+ is bonded to four P3- atoms to form a mixture of distorted edge and corner-sharing KP4 tetrahedra. There are a spread of K–P bond distances ranging from 3.43–3.50 Å. In the sixth K1+ site, K1+ is bonded in a distorted trigonal planar geometry to one K1+ and three P3- atoms. There are a spread of K–P bond distances ranging from 3.35–3.47 Å. In3+ is bonded in a trigonal planar geometry to three P3- atoms. There are a spread of In–P bond distances ranging from 2.55–2.60 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to eight K1+ and one In3+ atom. In the second P3- site, P3- is bonded in a 8-coordinate geometry to seven K1+ and one In3+ atom. In the third P3- site, P3- is bonded in a 9-coordinate geometry to eight K1+ and one In3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K6InP3 by Materials Project

K6InP3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four P3- atoms to form a mixture of distorted edge and corner-sharing KP4 tetrahedra. There are a spread of K–P bond distances ranging from 3.31–3.48 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of K–P bond distances ranging from 3.31–3.52 Å. In the third K1+ site, K1+ is bonded to four P3- atoms to form a mixture of distorted edge and corner-sharing KP4 tetrahedra. There are a spread of K–P bond distances ranging from 3.33–3.65 Å. In the fourth K1+ site, K1+ is bonded to four P3- atoms to form a mixture of distorted edge and corner-sharing KP4 tetrahedra. There are a spread of K–P bond distances ranging from 3.28–3.55 Å. In the fifth K1+ site, K1+ is bonded to four P3- atoms to form a mixture of distorted edge and corner-sharing KP4 tetrahedra. There are a spread of K–P bond distances ranging from 3.37–3.47 Å. In the sixth K1+ site, K1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of K–P bond distances ranging from 3.41–3.46 Å. In the seventh K1+ site, K1+ is bonded to four P3- atoms to form a mixture of distorted edge and corner-sharing KP4 tetrahedra. There are a spread of K–P bond distances ranging from 3.33–3.65 Å. In the eighth K1+ site, K1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of K–P bond distances ranging from 3.21–3.68 Å. In the ninth K1+ site, K1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of K–P bond distances ranging from 3.28–3.70 Å. In the tenth K1+ site, K1+ is bonded in a 6-coordinate geometry to four P3- atoms. There are a spread of K–P bond distances ranging from 3.28–3.73 Å. In the eleventh K1+ site, K1+ is bonded in a distorted trigonal non-coplanar geometry to three P3- atoms. There are a spread of K–P bond distances ranging from 3.36–3.54 Å. In the twelfth K1+ site, K1+ is bonded in a 3-coordinate geometry to three P3- atoms. There are a spread of K–P bond distances ranging from 3.30–3.53 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded in a trigonal planar geometry to three P3- atoms. There are a spread of In–P bond distances ranging from 2.56–2.58 Å. In the second In3+ site, In3+ is bonded in a trigonal planar geometry to three P3- atoms. There are a spread of In–P bond distances ranging from 2.54–2.60 Å. There are six inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to eight K1+ and one In3+ atom. In the second P3- site, P3- is bonded in a 9-coordinate geometry to eight K1+ and one In3+ atom. In the third P3- site, P3- is bonded in a 9-coordinate geometry to eight K1+ and one In3+ atom. In the fourth P3- site, P3- is bonded in a 9-coordinate geometry to eight K1+ and one In3+ atom. In the fifth P3- site, P3- is bonded in a 8-coordinate geometry to seven K1+ and one In3+ atom. In the sixth P3- site, P3- is bonded in a 7-coordinate geometry to seven K1+ and one In3+ atom.

36 MATERIALS SCIENCE↗