Materials Data on Na4Eu2GeP4 by Materials Project

Abstract

Na4Eu2GeP4 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Na–P bond distances ranging from 3.00–3.32 Å. In the second Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are a spread of Na–P bond distances ranging from 2.86–3.16 Å. In the third Na1+ site, Na1+ is bonded to four P3- atoms to form distorted NaP4 trigonal pyramids that share corners with two equivalent GeP4 tetrahedra, corners with six NaP4 trigonal pyramids, and an edgeedge with one GeP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.84–3.07 Å. In the fourth Na1+ site, Na1+ is bonded to four P3- atoms to form distorted NaP4 trigonal pyramids that share corners with two equivalent GeP4 tetrahedra, corners with four equivalent NaP4 trigonal pyramids, and an edgeedge with one GeP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.91–3.17 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 5-coordinate geometry to five P3- atoms. There are a spread of Eu–P bond distances ranging from 3.01–3.17 Å. In the second Eu2+ site, Eu2+ is bonded in a 6-coordinate geometry to six P3- atoms. There are a spread of Eu–P bond distances ranging from 2.97–3.41 Å. Ge4+ is bonded to four P3- atoms to form GeP4 tetrahedra that share corners with four NaP4 trigonal pyramids and edges with two NaP4 trigonal pyramids. There are a spread of Ge–P bond distances ranging from 2.36–2.44 Å. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded in a 8-coordinate geometry to five Na1+, two equivalent Eu2+, and one Ge4+ atom. In the second P3- site, P3- is bonded in a 7-coordinate geometry to four Na1+, three Eu2+, and one Ge4+ atom. In the third P3- site, P3- is bonded in a 8-coordinate geometry to four Na1+, three Eu2+, and one Ge4+ atom. In the fourth P3- site, P3- is bonded in a 8-coordinate geometry to four Na1+, three Eu2+, and one Ge4+ atom.