Materials Data on Sm2Mo2O7 by Materials Project

Abstract

Sm2Mo2O7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.27–2.47 Å. In the second Sm3+ site, Sm3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.27–2.48 Å. In the third Sm3+ site, Sm3+ is bonded in a hexagonal planar geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.34–2.45 Å. In the fourth Sm3+ site, Sm3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.48 Å. In the fifth Sm3+ site, Sm3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.28–2.48 Å. In the sixth Sm3+ site, Sm3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.34–2.46 Å. In the seventh Sm3+ site, Sm3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.34–2.45 Å. In the eighth Sm3+ site, Sm3+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.46 Å. There are eight inequivalent Mo4+ sites. In the first Mo4+ site, Mo4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mo–O bond distances ranging from 1.95–2.32 Å. In the second Mo4+ site, Mo4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Mo–O bond distances ranging from 2.16–2.29 Å. In the third Mo4+ site, Mo4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mo–O bond distances ranging from 1.96–2.34 Å. In the fourth Mo4+ site, Mo4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mo–O bond distances ranging from 1.96–2.34 Å. In the fifth Mo4+ site, Mo4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Mo–O bond distances ranging from 2.16–2.32 Å. In the sixth Mo4+ site, Mo4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Mo–O bond distances ranging from 2.16–2.29 Å. In the seventh Mo4+ site, Mo4+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Mo–O bond distances ranging from 1.95–2.34 Å. In the eighth Mo4+ site, Mo4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Mo–O bond distances ranging from 2.16–2.29 Å. There are twenty-eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo4+ atoms. In the second O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of distorted edge and corner-sharing OSm2Mo2 tetrahedra. In the third O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of distorted edge and corner-sharing OSm2Mo2 tetrahedra. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mo4+ atoms. In the fifth O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of distorted edge and corner-sharing OSm2Mo2 tetrahedra. In the sixth O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of edge and corner-sharing OSm2Mo2 tetrahedra. In the seventh O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of edge and corner-sharing OSm2Mo2 tetrahedra. In the eighth O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of edge and corner-sharing OSm2Mo2 tetrahedra. In the ninth O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of edge and corner-sharing OSm2Mo2 tetrahedra. In the tenth O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of distorted edge and corner-sharing OSm2Mo2 tetrahedra. In the eleventh O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of edge and corner-sharing OSm2Mo2 tetrahedra. In the twelfth O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of edge and corner-sharing OSm2Mo2 tetrahedra. In the thirteenth O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of edge and corner-sharing OSm2Mo2 tetrahedra. In the fourteenth O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of distorted edge and corner-sharing OSm2Mo2 tetrahedra. In the fifteenth O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of edge and corner-sharing OSm2Mo2 tetrahedra. In the sixteenth O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of distorted edge and corner-sharing OSm2Mo2 tetrahedra. In the seventeenth O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of distorted edge and corner-sharing OSm2Mo2 tetrahedra. In the eighteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Mo4+ atoms. In the nineteenth O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of edge and corner-sharing OSm2Mo2 tetrahedra. In the twentieth O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of distorted edge and corner-sharing OSm2Mo2 tetrahedra. In the twenty-first O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of edge and corner-sharing OSm2Mo2 tetrahedra. In the twenty-second O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of distorted edge and corner-sharing OSm2Mo2 tetrahedra. In the twenty-third O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of distorted edge and corner-sharing OSm2Mo2 tetrahedra. In the twenty-fourth O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of distorted edge and corner-sharing OSm2Mo2 tetrahedra. In the twenty-fifth O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of edge and corner-sharing OSm2Mo2 tetrahedra. In the twenty-sixth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Mo4+ atoms. In the twenty-seventh O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of distorted edge and corner-sharing OSm2Mo2 tetrahedra. In the twenty-eighth O2- site, O2- is bonded to two Sm3+ and two Mo4+ atoms to form a mixture of edge and corner-sharing OSm2Mo2 tetrahedra.