Materials Data on Na4Eu2SnP4 by Materials Project

Abstract

Na4Eu2SnP4 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 3-coordinate geometry to three P3- atoms. There are a spread of Na–P bond distances ranging from 2.90–3.11 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 2.83–3.24 Å. In the third Na1+ site, Na1+ is bonded to four P3- atoms to form distorted NaP4 trigonal pyramids that share corners with three equivalent EuP5 square pyramids, corners with two equivalent SnP4 tetrahedra, corners with six NaP4 trigonal pyramids, an edgeedge with one EuP5 square pyramid, and an edgeedge with one SnP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.85–3.11 Å. In the fourth Na1+ site, Na1+ is bonded to four P3- atoms to form distorted NaP4 trigonal pyramids that share a cornercorner with one EuP5 square pyramid, corners with two equivalent SnP4 tetrahedra, corners with four equivalent NaP4 trigonal pyramids, edges with two equivalent EuP5 square pyramids, and an edgeedge with one SnP4 tetrahedra. There are a spread of Na–P bond distances ranging from 2.90–3.27 Å. There are two inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded to five P3- atoms to form distorted EuP5 square pyramids that share corners with two equivalent EuP5 square pyramids, a cornercorner with one SnP4 tetrahedra, corners with four NaP4 trigonal pyramids, edges with two equivalent SnP4 tetrahedra, and edges with three NaP4 trigonal pyramids. There are a spread of Eu–P bond distances ranging from 3.02–3.24 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 2.98–3.52 Å. Sn4+ is bonded to four P3- atoms to form SnP4 tetrahedra that share a cornercorner with one EuP5 square pyramid, corners with four NaP4 trigonal pyramids, edges with two equivalent EuP5 square pyramids, and edges with two NaP4 trigonal pyramids. There are a spread of Sn–P bond distances ranging from 2.51–2.60 Å. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded in a 7-coordinate geometry to four Na1+, three Eu2+, and one Sn4+ atom. In the second P3- site, P3- is bonded in a 7-coordinate geometry to three Na1+, three Eu2+, and one Sn4+ atom. In the third P3- site, P3- is bonded in a 8-coordinate geometry to four Na1+, three Eu2+, and one Sn4+ atom. In the fourth P3- site, P3- is bonded in a 7-coordinate geometry to four Na1+, two equivalent Eu2+, and one Sn4+ atom.