NaOsSe2 crystallizes in the cubic F-43m space group. Na(1) is bonded in a distorted body-centered cubic geometry to four equivalent Os(1), four equivalent Se(2), and six equivalent Se(1) atoms. Os(1) is bonded in a distorted body-centered cubic geometry to four equivalent Na(1) and four equivalent Se(1) atoms. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 14-coordinate geometry to six equivalent Na(1), four equivalent Os(1), and four equivalent Se(2) atoms. In the second Se site, Se(2) is bonded to four equivalent Na(1) and four equivalent Se(1) atoms to form distorted edge-sharing SeNa4Se4 tetrahedra.
NaOsSe2 crystallizes in the cubic F-43m space group. Na(1) is bonded in a distorted body-centered cubic geometry to four equivalent Os(1), four equivalent Se(2), and six equivalent Se(1) atoms. All Na(1)-Os(1) bond lengths are 2.87 Å. All Na(1)-Se(2) bond lengths are 2.87 Å. All Na(1)-Se(1) bond lengths are 3.31 Å. Os(1) is bonded in a distorted body-centered cubic geometry to four equivalent Na(1) and four equivalent Se(1) atoms. All Os(1)-Se(1) bond lengths are 2.87 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 14-coordinate geometry to six equivalent Na(1), four equivalent Os(1), and four equivalent Se(2) atoms. All Se(1)-Se(2) bond lengths are 2.87 Å. In the second Se site, Se(2) is bonded to four equivalent Na(1) and four equivalent Se(1) atoms to form distorted edge-sharing SeNa4Se4 tetrahedra.