The compound described by Mg3(Mo3Se4)4 crystallizes in the triclinic P1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one Se(12), one Se(4), and one Se(5) atom. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to one Se(12), one Se(13), and one Se(5) atom. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to one Mo(10), one Mo(3), one Mo(9), one Se(10), and one Se(2) atom. There are twelve inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted water-like geometry to one Mo(4), one Se(15), and one Se(16) atom. In the second Mo site, Mo(2) is bonded in a distorted linear geometry to one Se(1), one Se(5), and one Se(6) atom. In the third Mo site, Mo(3) is bonded in a 3-coordinate geometry to one Mg(3), one Mo(6), and one Se(7) atom. In the fourth Mo site, Mo(4) is bonded in a 5-coordinate geometry to one Mo(1), one Se(10), one Se(2), one Se(7), and one Se(8) atom. In the fifth Mo site, Mo(5) is bonded in a distorted linear geometry to one Se(3) and one Se(8) atom. In the sixth Mo site, Mo(6) is bonded in a distorted water-like geometry to one Mo(3) and one Se(9) atom. In the seventh Mo site, Mo(7) is bonded in a distorted water-like geometry to one Mo(10) and one Se(8) atom. In the eighth Mo site, Mo(8) is bonded in a distorted linear geometry to one Se(14) and one Se(9) atom. In the ninth Mo site, Mo(9) is bonded in a 6-coordinate geometry to one Mg(3), one Mo(12), one Se(10), one Se(15), one Se(7), and one Se(9) atom. In the tenth Mo site, Mo(10) is bonded in a 5-coordinate geometry to one Mg(3), one Mo(7), one Se(10), one Se(15), and one Se(16) atom. In the eleventh Mo site, Mo(11) is bonded in a distorted linear geometry to one Se(11), one Se(12), one Se(15), and one Se(16) atom. In the twelfth Mo site, Mo(12) is bonded in a distorted water-like geometry to one Mo(9) and one Se(1) atom. There are sixteen inequivalent Se sites. In the first Se site, Se(1) is bonded in a 1-coordinate geometry to one Mo(12), one Mo(2), and one Se(5) atom. In the second Se site, Se(2) is bonded in a single-bond geometry to one Mg(3) and one Mo(4) atom. In the third Se site, Se(3) is bonded in a distorted single-bond geometry to one Mo(5) and one Se(15) atom. In the fourth Se site, Se(4) is bonded in a single-bond geometry to one Mg(1) atom. In the fifth Se site, Se(5) is bonded in a 5-coordinate geometry to one Mg(1), one Mg(2), one Mo(2), one Se(1), and one Se(9) atom. In the sixth Se site, Se(6) is bonded in a distorted single-bond geometry to one Mo(2) atom. In the seventh Se site, Se(7) is bonded in a 2-coordinate geometry to one Mo(3), one Mo(4), and one Mo(9) atom. In the eighth Se site, Se(8) is bonded in a 2-coordinate geometry to one Mo(4), one Mo(5), one Mo(7), and one Se(12) atom. In the ninth Se site, Se(9) is bonded in a 2-coordinate geometry to one Mo(6), one Mo(8), one Mo(9), and one Se(5) atom. In the tenth Se site, Se(10) is bonded in a 3-coordinate geometry to one Mg(3), one Mo(10), one Mo(4), and one Mo(9) atom. In the eleventh Se site, Se(11) is bonded in a distorted single-bond geometry to one Mo(11) and one Se(15) atom. In the twelfth Se site, Se(12) is bonded in a 5-coordinate geometry to one Mg(1), one Mg(2), one Mo(11), one Se(16), and one Se(8) atom. In the thirteenth Se site, Se(13) is bonded in a single-bond geometry to one Mg(2) atom. In the fourteenth Se site, Se(14) is bonded in a distorted single-bond geometry to one Mo(8) atom. In the fifteenth Se site, Se(15) is bonded in a 6-coordinate geometry to one Mo(1), one Mo(10), one Mo(11), one Mo(9), one Se(11), and one Se(3) atom. In the sixteenth Se site, Se(16) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(10), one Mo(11), and one Se(12) atom. is represented by the CIF card [CIF]
data_Mg3(Mo3Se4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.868
_cell_length_b   6.992
_cell_length_c   6.950
_cell_angle_alpha   93.119
_cell_angle_beta   95.247
_cell_angle_gamma   94.301
_symmetry_Int_Tables_number   1
_cell_volume   667.875
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.048  0.320  0.956  1.0
  Mg  Mg1  1  0.951  0.679  0.045  1.0
  Mg  Mg2  1  0.594  0.990  0.026  1.0
  Mo  Mo3  1  0.417  0.121  0.543  1.0
  Mo  Mo4  1  0.762  0.231  0.580  1.0
  Mo  Mo5  1  0.548  0.208  0.243  1.0
  Mo  Mo6  1  0.452  0.294  0.755  1.0
  Mo  Mo7  1  0.243  0.271  0.412  1.0
  Mo  Mo8  1  0.588  0.382  0.454  1.0
  Mo  Mo9  1  0.412  0.618  0.546  1.0
  Mo  Mo10  1  0.754  0.727  0.585  1.0
  Mo  Mo11  1  0.545  0.706  0.242  1.0
  Mo  Mo12  1  0.452  0.792  0.760  1.0
  Mo  Mo13  1  0.242  0.771  0.423  1.0
  Mo  Mo14  1  0.583  0.879  0.456  1.0
  Se  Se15  1  0.726  0.064  0.378  1.0
  Se  Se16  1  0.630  0.149  0.869  1.0
  Se  Se17  1  0.219  0.104  0.219  1.0
  Se  Se18  1  0.120  0.180  0.711  1.0
  Se  Se19  1  0.879  0.317  0.282  1.0
  Se  Se20  1  0.777  0.402  0.783  1.0
  Se  Se21  1  0.391  0.363  0.127  1.0
  Se  Se22  1  0.275  0.433  0.625  1.0
  Se  Se23  1  0.721  0.566  0.371  1.0
  Se  Se24  1  0.608  0.637  0.874  1.0
  Se  Se25  1  0.224  0.598  0.217  1.0
  Se  Se26  1  0.122  0.683  0.719  1.0
  Se  Se27  1  0.880  0.819  0.288  1.0
  Se  Se28  1  0.793  0.897  0.775  1.0
  Se  Se29  1  0.362  0.852  0.127  1.0
  Se  Se30  1  0.285  0.936  0.632  1.0
[/CIF]
.
The compound described by Mg3(Mo3Se4)4 crystallizes in the triclinic P1 space group. There are three inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to one Se(12), one Se(4), and one Se(5) atom. In the second Mg site, Mg(2) is bonded in a distorted single-bond geometry to one Se(12), one Se(13), and one Se(5) atom. In the third Mg site, Mg(3) is bonded in a 1-coordinate geometry to one Mo(10), one Mo(3), one Mo(9), one Se(10), and one Se(2) atom. There are twelve inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a distorted water-like geometry to one Mo(4), one Se(15), and one Se(16) atom. In the second Mo site, Mo(2) is bonded in a distorted linear geometry to one Se(1), one Se(5), and one Se(6) atom. In the third Mo site, Mo(3) is bonded in a 3-coordinate geometry to one Mg(3), one Mo(6), and one Se(7) atom. In the fourth Mo site, Mo(4) is bonded in a 5-coordinate geometry to one Mo(1), one Se(10), one Se(2), one Se(7), and one Se(8) atom. In the fifth Mo site, Mo(5) is bonded in a distorted linear geometry to one Se(3) and one Se(8) atom. In the sixth Mo site, Mo(6) is bonded in a distorted water-like geometry to one Mo(3) and one Se(9) atom. In the seventh Mo site, Mo(7) is bonded in a distorted water-like geometry to one Mo(10) and one Se(8) atom. In the eighth Mo site, Mo(8) is bonded in a distorted linear geometry to one Se(14) and one Se(9) atom. In the ninth Mo site, Mo(9) is bonded in a 6-coordinate geometry to one Mg(3), one Mo(12), one Se(10), one Se(15), one Se(7), and one Se(9) atom. In the tenth Mo site, Mo(10) is bonded in a 5-coordinate geometry to one Mg(3), one Mo(7), one Se(10), one Se(15), and one Se(16) atom. In the eleventh Mo site, Mo(11) is bonded in a distorted linear geometry to one Se(11), one Se(12), one Se(15), and one Se(16) atom. In the twelfth Mo site, Mo(12) is bonded in a distorted water-like geometry to one Mo(9) and one Se(1) atom. There are sixteen inequivalent Se sites. In the first Se site, Se(1) is bonded in a 1-coordinate geometry to one Mo(12), one Mo(2), and one Se(5) atom. In the second Se site, Se(2) is bonded in a single-bond geometry to one Mg(3) and one Mo(4) atom. In the third Se site, Se(3) is bonded in a distorted single-bond geometry to one Mo(5) and one Se(15) atom. In the fourth Se site, Se(4) is bonded in a single-bond geometry to one Mg(1) atom. In the fifth Se site, Se(5) is bonded in a 5-coordinate geometry to one Mg(1), one Mg(2), one Mo(2), one Se(1), and one Se(9) atom. In the sixth Se site, Se(6) is bonded in a distorted single-bond geometry to one Mo(2) atom. In the seventh Se site, Se(7) is bonded in a 2-coordinate geometry to one Mo(3), one Mo(4), and one Mo(9) atom. In the eighth Se site, Se(8) is bonded in a 2-coordinate geometry to one Mo(4), one Mo(5), one Mo(7), and one Se(12) atom. In the ninth Se site, Se(9) is bonded in a 2-coordinate geometry to one Mo(6), one Mo(8), one Mo(9), and one Se(5) atom. In the tenth Se site, Se(10) is bonded in a 3-coordinate geometry to one Mg(3), one Mo(10), one Mo(4), and one Mo(9) atom. In the eleventh Se site, Se(11) is bonded in a distorted single-bond geometry to one Mo(11) and one Se(15) atom. In the twelfth Se site, Se(12) is bonded in a 5-coordinate geometry to one Mg(1), one Mg(2), one Mo(11), one Se(16), and one Se(8) atom. In the thirteenth Se site, Se(13) is bonded in a single-bond geometry to one Mg(2) atom. In the fourteenth Se site, Se(14) is bonded in a distorted single-bond geometry to one Mo(8) atom. In the fifteenth Se site, Se(15) is bonded in a 6-coordinate geometry to one Mo(1), one Mo(10), one Mo(11), one Mo(9), one Se(11), and one Se(3) atom. In the sixteenth Se site, Se(16) is bonded in a 2-coordinate geometry to one Mo(1), one Mo(10), one Mo(11), and one Se(12) atom. is represented by the CIF card [CIF]
data_Mg3(Mo3Se4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.868
_cell_length_b   6.992
_cell_length_c   6.950
_cell_angle_alpha   93.119
_cell_angle_beta   95.247
_cell_angle_gamma   94.301
_symmetry_Int_Tables_number   1
_cell_volume   667.875
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.048  0.320  0.956  1.0
  Mg  Mg1  1  0.951  0.679  0.045  1.0
  Mg  Mg2  1  0.594  0.990  0.026  1.0
  Mo  Mo3  1  0.417  0.121  0.543  1.0
  Mo  Mo4  1  0.762  0.231  0.580  1.0
  Mo  Mo5  1  0.548  0.208  0.243  1.0
  Mo  Mo6  1  0.452  0.294  0.755  1.0
  Mo  Mo7  1  0.243  0.271  0.412  1.0
  Mo  Mo8  1  0.588  0.382  0.454  1.0
  Mo  Mo9  1  0.412  0.618  0.546  1.0
  Mo  Mo10  1  0.754  0.727  0.585  1.0
  Mo  Mo11  1  0.545  0.706  0.242  1.0
  Mo  Mo12  1  0.452  0.792  0.760  1.0
  Mo  Mo13  1  0.242  0.771  0.423  1.0
  Mo  Mo14  1  0.583  0.879  0.456  1.0
  Se  Se15  1  0.726  0.064  0.378  1.0
  Se  Se16  1  0.630  0.149  0.869  1.0
  Se  Se17  1  0.219  0.104  0.219  1.0
  Se  Se18  1  0.120  0.180  0.711  1.0
  Se  Se19  1  0.879  0.317  0.282  1.0
  Se  Se20  1  0.777  0.402  0.783  1.0
  Se  Se21  1  0.391  0.363  0.127  1.0
  Se  Se22  1  0.275  0.433  0.625  1.0
  Se  Se23  1  0.721  0.566  0.371  1.0
  Se  Se24  1  0.608  0.637  0.874  1.0
  Se  Se25  1  0.224  0.598  0.217  1.0
  Se  Se26  1  0.122  0.683  0.719  1.0
  Se  Se27  1  0.880  0.819  0.288  1.0
  Se  Se28  1  0.793  0.897  0.775  1.0
  Se  Se29  1  0.362  0.852  0.127  1.0
  Se  Se30  1  0.285  0.936  0.632  1.0
[/CIF]
.