DOI: 10.17188/1280539
title: Materials Data on Sr(PN2)2 by Materials Project

description: Sr(PN2)2 crystallizes in the hexagonal P6_3 space group. The structure is three-dimensional. there are six inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of Sr–N bond distances ranging from 2.57–3.15 Å. In the second Sr2+ site, Sr2+ is bonded in a 12-coordinate geometry to twelve N3- atoms. There are a spread of Sr–N bond distances ranging from 2.72–3.22 Å. In the third Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Sr–N bond distances ranging from 2.54–2.65 Å. In the fourth Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of Sr–N bond distances ranging from 2.68–2.90 Å. In the fifth Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine N3- atoms. There are a spread of Sr–N bond distances ranging from 2.69–2.90 Å. In the sixth Sr2+ site, Sr2+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Sr–N bond distances ranging from 2.58–2.61 Å. There are eight inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There is one shorter (1.57 Å) and three longer (1.65 Å) P–N bond length. In the second P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There is three shorter (1.64 Å) and one longer (1.65 Å) P–N bond length. In the third P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.63–1.65 Å. In the fourth P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.58–1.66 Å. In the fifth P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There is three shorter (1.64 Å) and one longer (1.66 Å) P–N bond length. In the sixth P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There is three shorter (1.64 Å) and one longer (1.66 Å) P–N bond length. In the seventh P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.63–1.66 Å. In the eighth P5+ site, P5+ is bonded to four N3- atoms to form corner-sharing PN4 tetrahedra. There are a spread of P–N bond distances ranging from 1.63–1.66 Å. There are sixteen inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Sr2+ and two P5+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to two Sr2+ and two P5+ atoms. In the third N3- site, N3- is bonded in a 2-coordinate geometry to one Sr2+ and two P5+ atoms. In the fourth N3- site, N3- is bonded in a 3-coordinate geometry to one Sr2+ and two P5+ atoms. In the fifth N3- site, N3- is bonded in a 3-coordinate geometry to two Sr2+ and two P5+ atoms. In the sixth N3- site, N3- is bonded in a 3-coordinate geometry to one Sr2+ and two P5+ atoms. In the seventh N3- site, N3- is bonded in a 2-coordinate geometry to two Sr2+ and two P5+ atoms. In the eighth N3- site, N3- is bonded in a distorted trigonal planar geometry to one Sr2+ and two P5+ atoms. In the ninth N3- site, N3- is bonded in a 3-coordinate geometry to two Sr2+ and two P5+ atoms. In the tenth N3- site, N3- is bonded in a 3-coordinate geometry to one Sr2+ and two P5+ atoms. In the eleventh N3- site, N3- is bonded in a 4-coordinate geometry to two Sr2+ and two P5+ atoms. In the twelfth N3- site, N3- is bonded in a 4-coordinate geometry to two Sr2+ and two P5+ atoms. In the thirteenth N3- site, N3- is bonded in a 2-coordinate geometry to two Sr2+ and two P5+ atoms. In the fourteenth N3- site, N3- is bonded in a 3-coordinate geometry to one Sr2+ and two P5+ atoms. In the fifteenth N3- site, N3- is bonded in a 2-coordinate geometry to two Sr2+ and two P5+ atoms. In the sixteenth N3- site, N3- is bonded in a 2-coordinate geometry to two equivalent Sr2+ and two P5+ atoms.