DOI: 10.17188/1719268
title: Materials Data on U7(Se6O)2 by Materials Project

description: U7(Se6O)2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are seven inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a distorted single-bond geometry to eight Se2- and one O2- atom. There are a spread of U–Se bond distances ranging from 2.87–3.13 Å. The U–O bond length is 2.19 Å. In the second U4+ site, U4+ is bonded in a distorted single-bond geometry to eight Se2- and one O2- atom. There are a spread of U–Se bond distances ranging from 2.87–3.12 Å. The U–O bond length is 2.19 Å. In the third U4+ site, U4+ is bonded in a distorted single-bond geometry to eight Se2- and one O2- atom. There are a spread of U–Se bond distances ranging from 2.87–3.14 Å. The U–O bond length is 2.18 Å. In the fourth U4+ site, U4+ is bonded in a distorted single-bond geometry to eight Se2- and one O2- atom. There are a spread of U–Se bond distances ranging from 2.93–3.11 Å. The U–O bond length is 2.24 Å. In the fifth U4+ site, U4+ is bonded in a distorted single-bond geometry to eight Se2- and one O2- atom. There are a spread of U–Se bond distances ranging from 2.93–3.12 Å. The U–O bond length is 2.20 Å. In the sixth U4+ site, U4+ is bonded in a distorted single-bond geometry to eight Se2- and one O2- atom. There are a spread of U–Se bond distances ranging from 2.93–3.13 Å. The U–O bond length is 2.20 Å. In the seventh U4+ site, U4+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of U–Se bond distances ranging from 2.89–3.16 Å. There are twelve inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to four U4+ atoms to form distorted corner-sharing SeU4 tetrahedra. In the second Se2- site, Se2- is bonded to four U4+ atoms to form distorted corner-sharing SeU4 tetrahedra. In the third Se2- site, Se2- is bonded to four U4+ atoms to form distorted corner-sharing SeU4 tetrahedra. In the fourth Se2- site, Se2- is bonded in a 5-coordinate geometry to five U4+ atoms. In the fifth Se2- site, Se2- is bonded in a 5-coordinate geometry to five U4+ atoms. In the sixth Se2- site, Se2- is bonded in a 5-coordinate geometry to five U4+ atoms. In the seventh Se2- site, Se2- is bonded in a 7-coordinate geometry to five U4+ and two equivalent O2- atoms. Both Se–O bond lengths are 3.00 Å. In the eighth Se2- site, Se2- is bonded in a 7-coordinate geometry to five U4+ and two equivalent O2- atoms. Both Se–O bond lengths are 2.99 Å. In the ninth Se2- site, Se2- is bonded in a 7-coordinate geometry to five U4+ and two equivalent O2- atoms. Both Se–O bond lengths are 3.02 Å. In the tenth Se2- site, Se2- is bonded in a 7-coordinate geometry to five U4+ and two equivalent O2- atoms. Both Se–O bond lengths are 3.04 Å. In the eleventh Se2- site, Se2- is bonded in a 7-coordinate geometry to five U4+ and two equivalent O2- atoms. Both Se–O bond lengths are 3.04 Å. In the twelfth Se2- site, Se2- is bonded in a 7-coordinate geometry to five U4+ and two equivalent O2- atoms. Both Se–O bond lengths are 3.04 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three U4+ and six Se2- atoms. In the second O2- site, O2- is bonded in a trigonal planar geometry to three U4+ and six Se2- atoms.