Mo2RuSe4 crystallizes in the triclinic P1 space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one Se(1), one Se(3), one Se(5), one Se(6), and one Se(7) atom. In the second Mo site, Mo(2) is bonded to one Se(2), one Se(4), one Se(5), one Se(6), and one Se(7) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(3)Se5 square pyramid,  a cornercorner with one Mo(4)Se5 square pyramid,  a cornercorner with one Ru(2)Se5 square pyramid,  an edgeedge with one Mo(3)Se5 square pyramid,  an edgeedge with one Mo(4)Se5 square pyramid, and  an edgeedge with one Ru(2)Se5 square pyramid. In the third Mo site, Mo(3) is bonded to one Se(2), one Se(3), one Se(5), one Se(7), and one Se(8) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(2)Se5 square pyramid,  a cornercorner with one Mo(4)Se5 square pyramid,  an edgeedge with one Mo(2)Se5 square pyramid,  an edgeedge with one Mo(4)Se5 square pyramid, and  an edgeedge with one Ru(2)Se5 square pyramid. In the fourth Mo site, Mo(4) is bonded to one Se(2), one Se(3), one Se(4), one Se(6), and one Se(8) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(2)Se5 square pyramid,  a cornercorner with one Mo(3)Se5 square pyramid,  a cornercorner with one Ru(2)Se5 square pyramid,  an edgeedge with one Mo(2)Se5 square pyramid,  an edgeedge with one Mo(3)Se5 square pyramid, and  an edgeedge with one Ru(2)Se5 square pyramid. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 5-coordinate geometry to one Se(1), one Se(3), one Se(4), one Se(7), and one Se(8) atom. In the second Ru site, Ru(2) is bonded to one Se(1), one Se(4), one Se(5), one Se(6), and one Se(8) atom to form distorted RuSe5 square pyramids that share  a cornercorner with one Mo(2)Se5 square pyramid,  a cornercorner with one Mo(4)Se5 square pyramid,  an edgeedge with one Mo(2)Se5 square pyramid,  an edgeedge with one Mo(3)Se5 square pyramid, and  an edgeedge with one Mo(4)Se5 square pyramid. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Mo(1), one Ru(1), and one Ru(2) atom. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one Mo(4) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(3), one Mo(4), and one Ru(1) atom. In the fourth Se site, Se(4) is bonded in a distorted rectangular see-saw-like geometry to one Mo(2), one Mo(4), one Ru(1), and one Ru(2) atom. In the fifth Se site, Se(5) is bonded in a distorted rectangular see-saw-like geometry to one Mo(1), one Mo(2), one Mo(3), and one Ru(2) atom. In the sixth Se site, Se(6) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(2), one Mo(4), and one Ru(2) atom. In the seventh Se site, Se(7) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), and one Ru(1) atom. In the eighth Se site, Se(8) is bonded in a 4-coordinate geometry to one Mo(3), one Mo(4), one Ru(1), and one Ru(2) atom.
Mo2RuSe4 crystallizes in the triclinic P1 space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one Se(1), one Se(3), one Se(5), one Se(6), and one Se(7) atom. The Mo(1)-Se(1) bond length is 2.54 Å. The Mo(1)-Se(3) bond length is 2.63 Å. The Mo(1)-Se(5) bond length is 2.55 Å. The Mo(1)-Se(6) bond length is 2.68 Å. The Mo(1)-Se(7) bond length is 2.58 Å. In the second Mo site, Mo(2) is bonded to one Se(2), one Se(4), one Se(5), one Se(6), and one Se(7) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(3)Se5 square pyramid,  a cornercorner with one Mo(4)Se5 square pyramid,  a cornercorner with one Ru(2)Se5 square pyramid,  an edgeedge with one Mo(3)Se5 square pyramid,  an edgeedge with one Mo(4)Se5 square pyramid, and  an edgeedge with one Ru(2)Se5 square pyramid. The Mo(2)-Se(2) bond length is 2.56 Å. The Mo(2)-Se(4) bond length is 2.68 Å. The Mo(2)-Se(5) bond length is 2.54 Å. The Mo(2)-Se(6) bond length is 2.55 Å. The Mo(2)-Se(7) bond length is 2.66 Å. In the third Mo site, Mo(3) is bonded to one Se(2), one Se(3), one Se(5), one Se(7), and one Se(8) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(2)Se5 square pyramid,  a cornercorner with one Mo(4)Se5 square pyramid,  an edgeedge with one Mo(2)Se5 square pyramid,  an edgeedge with one Mo(4)Se5 square pyramid, and  an edgeedge with one Ru(2)Se5 square pyramid. The Mo(3)-Se(2) bond length is 2.55 Å. The Mo(3)-Se(3) bond length is 2.56 Å. The Mo(3)-Se(5) bond length is 2.65 Å. The Mo(3)-Se(7) bond length is 2.57 Å. The Mo(3)-Se(8) bond length is 2.67 Å. In the fourth Mo site, Mo(4) is bonded to one Se(2), one Se(3), one Se(4), one Se(6), and one Se(8) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(2)Se5 square pyramid,  a cornercorner with one Mo(3)Se5 square pyramid,  a cornercorner with one Ru(2)Se5 square pyramid,  an edgeedge with one Mo(2)Se5 square pyramid,  an edgeedge with one Mo(3)Se5 square pyramid, and  an edgeedge with one Ru(2)Se5 square pyramid. The Mo(4)-Se(2) bond length is 2.55 Å. The Mo(4)-Se(3) bond length is 2.69 Å. The Mo(4)-Se(4) bond length is 2.55 Å. The Mo(4)-Se(6) bond length is 2.64 Å. The Mo(4)-Se(8) bond length is 2.58 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 5-coordinate geometry to one Se(1), one Se(3), one Se(4), one Se(7), and one Se(8) atom. The Ru(1)-Se(1) bond length is 2.48 Å. The Ru(1)-Se(3) bond length is 2.54 Å. The Ru(1)-Se(4) bond length is 2.56 Å. The Ru(1)-Se(7) bond length is 2.66 Å. The Ru(1)-Se(8) bond length is 2.54 Å. In the second Ru site, Ru(2) is bonded to one Se(1), one Se(4), one Se(5), one Se(6), and one Se(8) atom to form distorted RuSe5 square pyramids that share  a cornercorner with one Mo(2)Se5 square pyramid,  a cornercorner with one Mo(4)Se5 square pyramid,  an edgeedge with one Mo(2)Se5 square pyramid,  an edgeedge with one Mo(3)Se5 square pyramid, and  an edgeedge with one Mo(4)Se5 square pyramid. The Ru(2)-Se(1) bond length is 2.48 Å. The Ru(2)-Se(4) bond length is 2.50 Å. The Ru(2)-Se(5) bond length is 2.57 Å. The Ru(2)-Se(6) bond length is 2.55 Å. The Ru(2)-Se(8) bond length is 2.67 Å. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Mo(1), one Ru(1), and one Ru(2) atom. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one Mo(4) atom. In the third Se site, Se(3) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(3), one Mo(4), and one Ru(1) atom. In the fourth Se site, Se(4) is bonded in a distorted rectangular see-saw-like geometry to one Mo(2), one Mo(4), one Ru(1), and one Ru(2) atom. In the fifth Se site, Se(5) is bonded in a distorted rectangular see-saw-like geometry to one Mo(1), one Mo(2), one Mo(3), and one Ru(2) atom. In the sixth Se site, Se(6) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(2), one Mo(4), and one Ru(2) atom. In the seventh Se site, Se(7) is bonded in a 4-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), and one Ru(1) atom. In the eighth Se site, Se(8) is bonded in a 4-coordinate geometry to one Mo(3), one Mo(4), one Ru(1), and one Ru(2) atom.