Materials Data on Rb3GaP2 by Materials Project
Rb3GaP2 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are six inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.43–3.60 Å. In the second Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.49–3.70 Å. In the third Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.39–3.64 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.56–3.92 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Rb–P bond distances ranging from 3.47–3.63 Å. In the sixth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to three P3- atoms. There are a spread of Rb–P bond distances ranging from 3.38–3.67 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three P3- atoms. There are a spread of Ga–P bond distances ranging from 2.28–2.41 Å. In the second Ga3+ site, Ga3+ is bonded in a trigonal planar geometry to three P3- atoms. There are one shorter (2.25 Å) and two longer (2.40 Å) Ga–P bond lengths. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded in a 2-coordinate geometry to four Rb1+ and two Ga3+ atoms. In the second P3- site, P3- is bonded in a 1-coordinate geometry to eight Rb1+ and one Ga3+ atom. In the third P3- site, P3- is bonded in a 7-coordinate geometry to five Rb1+ and two Ga3+ atoms. In the fourth P3- site, P3- is bonded in a 1-coordinate geometry to six Rb1+ and one Ga3+ atom.