The structure described by Mo2RuSe4 crystallizes in the triclinic P-1 space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one Se(3), one Se(6), one Se(7), and two equivalent Se(2) atoms to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(4)Se5 square pyramid,  a cornercorner with one Ru(1)Se5 square pyramid,  a cornercorner with one Ru(2)Se5 square pyramid,  an edgeedge with one Mo(1)Se5 square pyramid, edges with two equivalent Mo(4)Se5 square pyramids, and edges with two equivalent Ru(2)Se5 square pyramids. In the second Mo site, Mo(2) is bonded to one Se(4), one Se(5), one Se(8), and two equivalent Se(1) atoms to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(4)Se5 square pyramid,  a cornercorner with one Ru(1)Se5 square pyramid,  a cornercorner with one Ru(2)Se5 square pyramid,  an edgeedge with one Mo(2)Se5 square pyramid, and edges with two equivalent Ru(1)Se5 square pyramids. In the third Mo site, Mo(3) is bonded in a 5-coordinate geometry to one Se(1), one Se(3), one Se(4), one Se(5), and one Se(8) atom. In the fourth Mo site, Mo(4) is bonded to one Se(2), one Se(3), one Se(6), one Se(7), and one Se(8) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(1)Se5 square pyramid,  a cornercorner with one Mo(2)Se5 square pyramid,  an edgeedge with one Ru(1)Se5 square pyramid, edges with two equivalent Mo(1)Se5 square pyramids, and edges with two equivalent Ru(2)Se5 square pyramids. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one Se(1), one Se(4), one Se(5), one Se(7), and one Se(8) atom to form distorted RuSe5 square pyramids that share  a cornercorner with one Mo(1)Se5 square pyramid,  a cornercorner with one Mo(2)Se5 square pyramid, corners with two equivalent Ru(2)Se5 square pyramids,  an edgeedge with one Mo(4)Se5 square pyramid, and edges with two equivalent Mo(2)Se5 square pyramids. In the second Ru site, Ru(2) is bonded to one Se(2), one Se(3), one Se(4), one Se(6), and one Se(7) atom to form distorted RuSe5 square pyramids that share  a cornercorner with one Mo(1)Se5 square pyramid,  a cornercorner with one Mo(2)Se5 square pyramid, corners with two equivalent Ru(1)Se5 square pyramids, edges with two equivalent Mo(1)Se5 square pyramids, and edges with two equivalent Mo(4)Se5 square pyramids. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one Mo(3), two equivalent Mo(2), and one Ru(1) atom. In the second Se site, Se(2) is bonded in a distorted rectangular see-saw-like geometry to one Mo(4), two equivalent Mo(1), and one Ru(2) atom. In the third Se site, Se(3) is bonded in a distorted rectangular see-saw-like geometry to one Mo(1), one Mo(3), one Mo(4), and one Ru(2) atom. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one Mo(2), one Mo(3), one Ru(1), and one Ru(2) atom. In the fifth Se site, Se(5) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one Ru(1) atom. In the sixth Se site, Se(6) is bonded in a 3-coordinate geometry to one Mo(1), 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(4), one Ru(1), and one Ru(2) atom. In the eighth Se site, Se(8) is bonded in a distorted rectangular see-saw-like geometry to one Mo(2), one Mo(3), one Mo(4), and one Ru(1) atom. is represented by the CIF card [CIF]
data_Mo2RuSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.729
_cell_length_b   9.308
_cell_length_c   9.819
_cell_angle_alpha   90.049
_cell_angle_beta   90.601
_cell_angle_gamma   94.931
_symmetry_Int_Tables_number   1
_cell_volume   612.726
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mo  Mo0  1  0.766  0.519  0.067  1.0
  Mo  Mo1  1  0.767  0.020  0.566  1.0
  Mo  Mo2  1  0.583  0.108  0.346  1.0
  Mo  Mo3  1  0.544  0.326  0.911  1.0
  Mo  Mo4  1  0.456  0.674  0.089  1.0
  Mo  Mo5  1  0.417  0.892  0.654  1.0
  Mo  Mo6  1  0.233  0.980  0.434  1.0
  Mo  Mo7  1  0.234  0.481  0.933  1.0
  Ru  Ru8  1  0.549  0.819  0.408  1.0
  Ru  Ru9  1  0.588  0.610  0.838  1.0
  Ru  Ru10  1  0.412  0.390  0.162  1.0
  Ru  Ru11  1  0.451  0.181  0.592  1.0
  Se  Se12  1  0.867  0.945  0.320  1.0
  Se  Se13  1  0.869  0.451  0.819  1.0
  Se  Se14  1  0.720  0.252  0.128  1.0
  Se  Se15  1  0.735  0.747  0.617  1.0
  Se  Se16  1  0.779  0.284  0.504  1.0
  Se  Se17  1  0.784  0.782  0.993  1.0
  Se  Se18  1  0.630  0.566  0.304  1.0
  Se  Se19  1  0.625  0.079  0.798  1.0
  Se  Se20  1  0.375  0.921  0.202  1.0
  Se  Se21  1  0.370  0.434  0.696  1.0
  Se  Se22  1  0.221  0.716  0.496  1.0
  Se  Se23  1  0.265  0.253  0.383  1.0
  Se  Se24  1  0.216  0.218  0.007  1.0
  Se  Se25  1  0.280  0.748  0.872  1.0
  Se  Se26  1  0.131  0.549  0.181  1.0
  Se  Se27  1  0.133  0.055  0.680  1.0
[/CIF]
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The structure described by Mo2RuSe4 crystallizes in the triclinic P-1 space group. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one Se(3), one Se(6), one Se(7), and two equivalent Se(2) atoms to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(4)Se5 square pyramid,  a cornercorner with one Ru(1)Se5 square pyramid,  a cornercorner with one Ru(2)Se5 square pyramid,  an edgeedge with one Mo(1)Se5 square pyramid, edges with two equivalent Mo(4)Se5 square pyramids, and edges with two equivalent Ru(2)Se5 square pyramids. In the second Mo site, Mo(2) is bonded to one Se(4), one Se(5), one Se(8), and two equivalent Se(1) atoms to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(4)Se5 square pyramid,  a cornercorner with one Ru(1)Se5 square pyramid,  a cornercorner with one Ru(2)Se5 square pyramid,  an edgeedge with one Mo(2)Se5 square pyramid, and edges with two equivalent Ru(1)Se5 square pyramids. In the third Mo site, Mo(3) is bonded in a 5-coordinate geometry to one Se(1), one Se(3), one Se(4), one Se(5), and one Se(8) atom. In the fourth Mo site, Mo(4) is bonded to one Se(2), one Se(3), one Se(6), one Se(7), and one Se(8) atom to form distorted MoSe5 square pyramids that share  a cornercorner with one Mo(1)Se5 square pyramid,  a cornercorner with one Mo(2)Se5 square pyramid,  an edgeedge with one Ru(1)Se5 square pyramid, edges with two equivalent Mo(1)Se5 square pyramids, and edges with two equivalent Ru(2)Se5 square pyramids. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded to one Se(1), one Se(4), one Se(5), one Se(7), and one Se(8) atom to form distorted RuSe5 square pyramids that share  a cornercorner with one Mo(1)Se5 square pyramid,  a cornercorner with one Mo(2)Se5 square pyramid, corners with two equivalent Ru(2)Se5 square pyramids,  an edgeedge with one Mo(4)Se5 square pyramid, and edges with two equivalent Mo(2)Se5 square pyramids. In the second Ru site, Ru(2) is bonded to one Se(2), one Se(3), one Se(4), one Se(6), and one Se(7) atom to form distorted RuSe5 square pyramids that share  a cornercorner with one Mo(1)Se5 square pyramid,  a cornercorner with one Mo(2)Se5 square pyramid, corners with two equivalent Ru(1)Se5 square pyramids, edges with two equivalent Mo(1)Se5 square pyramids, and edges with two equivalent Mo(4)Se5 square pyramids. There are eight inequivalent Se sites. In the first Se site, Se(1) is bonded in a 4-coordinate geometry to one Mo(3), two equivalent Mo(2), and one Ru(1) atom. In the second Se site, Se(2) is bonded in a distorted rectangular see-saw-like geometry to one Mo(4), two equivalent Mo(1), and one Ru(2) atom. In the third Se site, Se(3) is bonded in a distorted rectangular see-saw-like geometry to one Mo(1), one Mo(3), one Mo(4), and one Ru(2) atom. In the fourth Se site, Se(4) is bonded in a 4-coordinate geometry to one Mo(2), one Mo(3), one Ru(1), and one Ru(2) atom. In the fifth Se site, Se(5) is bonded in a 3-coordinate geometry to one Mo(2), one Mo(3), and one Ru(1) atom. In the sixth Se site, Se(6) is bonded in a 3-coordinate geometry to one Mo(1), 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(4), one Ru(1), and one Ru(2) atom. In the eighth Se site, Se(8) is bonded in a distorted rectangular see-saw-like geometry to one Mo(2), one Mo(3), one Mo(4), and one Ru(1) atom. is represented by the CIF card [CIF]
data_Mo2RuSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.729
_cell_length_b   9.308
_cell_length_c   9.819
_cell_angle_alpha   90.049
_cell_angle_beta   90.601
_cell_angle_gamma   94.931
_symmetry_Int_Tables_number   1
_cell_volume   612.726
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mo  Mo0  1  0.766  0.519  0.067  1.0
  Mo  Mo1  1  0.767  0.020  0.566  1.0
  Mo  Mo2  1  0.583  0.108  0.346  1.0
  Mo  Mo3  1  0.544  0.326  0.911  1.0
  Mo  Mo4  1  0.456  0.674  0.089  1.0
  Mo  Mo5  1  0.417  0.892  0.654  1.0
  Mo  Mo6  1  0.233  0.980  0.434  1.0
  Mo  Mo7  1  0.234  0.481  0.933  1.0
  Ru  Ru8  1  0.549  0.819  0.408  1.0
  Ru  Ru9  1  0.588  0.610  0.838  1.0
  Ru  Ru10  1  0.412  0.390  0.162  1.0
  Ru  Ru11  1  0.451  0.181  0.592  1.0
  Se  Se12  1  0.867  0.945  0.320  1.0
  Se  Se13  1  0.869  0.451  0.819  1.0
  Se  Se14  1  0.720  0.252  0.128  1.0
  Se  Se15  1  0.735  0.747  0.617  1.0
  Se  Se16  1  0.779  0.284  0.504  1.0
  Se  Se17  1  0.784  0.782  0.993  1.0
  Se  Se18  1  0.630  0.566  0.304  1.0
  Se  Se19  1  0.625  0.079  0.798  1.0
  Se  Se20  1  0.375  0.921  0.202  1.0
  Se  Se21  1  0.370  0.434  0.696  1.0
  Se  Se22  1  0.221  0.716  0.496  1.0
  Se  Se23  1  0.265  0.253  0.383  1.0
  Se  Se24  1  0.216  0.218  0.007  1.0
  Se  Se25  1  0.280  0.748  0.872  1.0
  Se  Se26  1  0.131  0.549  0.181  1.0
  Se  Se27  1  0.133  0.055  0.680  1.0
[/CIF]
.