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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on EuSi2(NO)2 by Materials Project

EuSi2O2N2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 7-coordinate geometry to one N3- and six O2- atoms. The Eu–N bond length is 2.84 Å. There are a spread of Eu–O bond distances ranging from 2.53–2.69 Å. In the second Eu2+ site, Eu2+ is bonded in a 7-coordinate geometry to one N3- and six O2- atoms. The Eu–N bond length is 2.96 Å. There are a spread of Eu–O bond distances ranging from 2.49–2.74 Å. In the third Eu2+ site, Eu2+ is bonded in a 7-coordinate geometry to one N3- and six O2- atoms. The Eu–N bond length is 2.83 Å. There are a spread of Eu–O bond distances ranging from 2.51–2.68 Å. In the fourth Eu2+ site, Eu2+ is bonded in a 7-coordinate geometry to one N3- and six O2- atoms. The Eu–N bond length is 2.95 Å. There are a spread of Eu–O bond distances ranging from 2.50–2.74 Å. There are eight inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to three N3- and one O2- atom to form corner-sharing SiN3O tetrahedra. There are a spread of Si–N bond distances ranging from 1.73–1.77 Å. The Si–O bond length is 1.63 Å. In the second Si4+ site, Si4+ is bonded to three N3- and one O2- atom to form corner-sharing SiN3O tetrahedra. There is two shorter (1.75 Å) and one longer (1.76 Å) Si–N bond length. The Si–O bond length is 1.64 Å. In the third Si4+ site, Si4+ is bonded to three N3- and one O2- atom to form corner-sharing SiN3O tetrahedra. There is two shorter (1.75 Å) and one longer (1.76 Å) Si–N bond length. The Si–O bond length is 1.63 Å. In the fourth Si4+ site, Si4+ is bonded to three N3- and one O2- atom to form corner-sharing SiN3O tetrahedra. There are a spread of Si–N bond distances ranging from 1.74–1.77 Å. The Si–O bond length is 1.64 Å. In the fifth Si4+ site, Si4+ is bonded to three N3- and one O2- atom to form corner-sharing SiN3O tetrahedra. There are a spread of Si–N bond distances ranging from 1.73–1.76 Å. The Si–O bond length is 1.63 Å. In the sixth Si4+ site, Si4+ is bonded to three N3- and one O2- atom to form corner-sharing SiN3O tetrahedra. All Si–N bond lengths are 1.75 Å. The Si–O bond length is 1.63 Å. In the seventh Si4+ site, Si4+ is bonded to three N3- and one O2- atom to form corner-sharing SiN3O tetrahedra. There is two shorter (1.75 Å) and one longer (1.76 Å) Si–N bond length. The Si–O bond length is 1.63 Å. In the eighth Si4+ site, Si4+ is bonded to three N3- and one O2- atom to form corner-sharing SiN3O tetrahedra. There are a spread of Si–N bond distances ranging from 1.74–1.77 Å. The Si–O bond length is 1.63 Å. There are eight inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to one Eu2+ and three Si4+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ atoms. In the third N3- site, N3- is bonded in a distorted trigonal planar geometry to one Eu2+ and three Si4+ atoms. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to one Eu2+ and three Si4+ atoms. In the fifth N3- site, N3- is bonded in a distorted trigonal planar geometry to one Eu2+ and three Si4+ atoms. In the sixth N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ atoms. In the seventh N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ atoms. In the eighth N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ atoms. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Eu2+ and one Si4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three Eu2+ and one Si4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Eu2+ and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three Eu2+ and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Eu2+ and one Si4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Eu2+ and one Si4+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to three Eu2+ and one Si4+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to three Eu2+ and one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu3Si6N4O9 by Materials Project

Eu3Si6N4O9 crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are three inequivalent Eu2+ sites. In the first Eu2+ site, Eu2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.60 Å) and three longer (2.75 Å) Eu–O bond lengths. In the second Eu2+ site, Eu2+ is bonded in a 6-coordinate geometry to six O2- atoms. All Eu–O bond lengths are 2.62 Å. In the third Eu2+ site, Eu2+ is bonded to six O2- atoms to form distorted EuO6 octahedra that share corners with six SiN2O2 tetrahedra. There are three shorter (2.62 Å) and three longer (2.69 Å) Eu–O bond lengths. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to two equivalent N3- and two O2- atoms to form SiN2O2 tetrahedra that share a cornercorner with one EuO6 octahedra and corners with five SiN2O2 tetrahedra. The corner-sharing octahedral tilt angles are 72°. There is one shorter (1.74 Å) and one longer (1.75 Å) Si–N bond length. There is one shorter (1.62 Å) and one longer (1.66 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to two N3- and two O2- atoms to form SiN2O2 tetrahedra that share a cornercorner with one EuO6 octahedra and corners with five SiN2O2 tetrahedra. The corner-sharing octahedral tilt angles are 64°. There is one shorter (1.73 Å) and one longer (1.75 Å) Si–N bond length. There is one shorter (1.62 Å) and one longer (1.65 Å) Si–O bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three equivalent Si4+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to three Si4+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two Si4+ atoms. In the second O2- site, O2- is bonded to three Eu2+ and one Si4+ atom to form distorted corner-sharing OEu3Si tetrahedra. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three Eu2+ and one Si4+ atom.

36 MATERIALS SCIENCE↗