OsPSe crystallizes in the monoclinic P2_1/c space group. Os(1) is bonded to three equivalent P(1) and three equivalent Se(1) atoms to form distorted OsP3Se3 octahedra that share corners with eight equivalent Os(1)P3Se3 octahedra, corners with three equivalent P(1)Os3Se tetrahedra, corners with three equivalent Se(1)POs3 tetrahedra, and edges with two equivalent Os(1)P3Se3 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. P(1) is bonded to three equivalent Os(1) and one Se(1) atom to form distorted POs3Se tetrahedra that share corners with three equivalent Os(1)P3Se3 octahedra, corners with four equivalent P(1)Os3Se tetrahedra, corners with nine equivalent Se(1)POs3 tetrahedra, and  an edgeedge with one P(1)Os3Se tetrahedra. The corner-sharing octahedral tilt angles range from 64-72°. Se(1) is bonded to three equivalent Os(1) and one P(1) atom to form SePOs3 tetrahedra that share corners with three equivalent Os(1)P3Se3 octahedra, corners with four equivalent Se(1)POs3 tetrahedra, corners with nine equivalent P(1)Os3Se tetrahedra, and  an edgeedge with one Se(1)POs3 tetrahedra. The corner-sharing octahedral tilt angles range from 73-82°.
OsPSe crystallizes in the monoclinic P2_1/c space group. Os(1) is bonded to three equivalent P(1) and three equivalent Se(1) atoms to form distorted OsP3Se3 octahedra that share corners with eight equivalent Os(1)P3Se3 octahedra, corners with three equivalent P(1)Os3Se tetrahedra, corners with three equivalent Se(1)POs3 tetrahedra, and edges with two equivalent Os(1)P3Se3 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. There is one shorter (2.40 Å) and two longer (2.41 Å) Os(1)-P(1) bond lengths. All Os(1)-Se(1) bond lengths are 2.47 Å. P(1) is bonded to three equivalent Os(1) and one Se(1) atom to form distorted POs3Se tetrahedra that share corners with three equivalent Os(1)P3Se3 octahedra, corners with four equivalent P(1)Os3Se tetrahedra, corners with nine equivalent Se(1)POs3 tetrahedra, and  an edgeedge with one P(1)Os3Se tetrahedra. The corner-sharing octahedral tilt angles range from 64-72°. The P(1)-Se(1) bond length is 2.45 Å. Se(1) is bonded to three equivalent Os(1) and one P(1) atom to form SePOs3 tetrahedra that share corners with three equivalent Os(1)P3Se3 octahedra, corners with four equivalent Se(1)POs3 tetrahedra, corners with nine equivalent P(1)Os3Se tetrahedra, and  an edgeedge with one Se(1)POs3 tetrahedra. The corner-sharing octahedral tilt angles range from 73-82°.