The crystal structure described by Mo3AlSe2O8Cl crystallizes in the triclinic P1 space group. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(13), one O(4), one O(7), one Cl(1), and one Cl(2) atom to form distorted MoCl2O4 octahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with two equivalent Mo(6)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 32-49°. In the second Mo site, Mo(2) is bonded in a distorted square co-planar geometry to one O(11), one O(12), one O(14), and one O(5) atom. In the third Mo site, Mo(3) is bonded in a distorted square co-planar geometry to one O(1), one O(10), one O(7), and one O(8) atom. In the fourth Mo site, Mo(4) is bonded in a 4-coordinate geometry to one O(12), one O(15), one O(3), and one O(7) atom. In the fifth Mo site, Mo(5) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(16), and one O(2) atom. In the sixth Mo site, Mo(6) is bonded to one O(11), one O(12), one O(6), one O(9), one Cl(1), and one Cl(2) atom to form distorted MoCl2O4 octahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with two equivalent Mo(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 32-50°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(11), one O(14), one O(16), one O(2), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Mo(1)Cl2O4 octahedra and  a cornercorner with one Mo(6)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Al site, Al(2) is bonded to one O(10), one O(12), one O(15), one O(3), one O(5), and one O(7) atom to form AlO6 octahedra that share  a cornercorner with one Mo(1)Cl2O4 octahedra and  a cornercorner with one Mo(6)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one O(15), one O(4), and one O(8) atom. In the second Se site, Se(2) is bonded in a water-like geometry to one O(10) and one O(13) atom. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(14), one O(3), and one O(9) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one O(16), one O(5), and one O(6) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Mo(1), one Mo(3), one Mo(5), and one Al(1) atom to form distorted corner-sharing OAlMo3 trigonal pyramids. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mo(5) and one Al(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mo(4), one Al(2), and one Se(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mo(1) and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mo(2), one Al(2), and one Se(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(6) and one Se(4) atom. In the seventh O site, O(7) is bonded to one Mo(1), one Mo(3), one Mo(4), and one Al(2) atom to form distorted corner-sharing OAlMo3 tetrahedra. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mo(3), one Al(1), and one Se(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mo(6) and one Se(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mo(3), one Al(2), and one Se(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mo(2), one Mo(5), one Mo(6), and one Al(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Mo(2), one Mo(4), one Mo(6), and one Al(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Se(2) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Mo(2), one Al(1), and one Se(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mo(4), one Al(2), and one Se(1) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mo(5), one Al(1), and one Se(4) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(6) atom. In the second Cl site, Cl(2) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Mo(6) atom. is represented by the CIF card [CIF]
data_AlMo3Se2ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.273
_cell_length_b   6.550
_cell_length_c   9.752
_cell_angle_alpha   93.991
_cell_angle_beta   106.381
_cell_angle_gamma   93.643
_symmetry_Int_Tables_number   1
_cell_volume   442.926
_cell_formula_units_Z   2
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
  Al  Al0  1  0.264  0.267  0.265  1.0
  Al  Al1  1  0.722  0.736  0.745  1.0
  Mo  Mo2  1  0.507  0.015  0.008  1.0
  Mo  Mo3  1  0.493  0.991  0.499  1.0
  Mo  Mo4  1  0.007  0.991  0.008  1.0
  Mo  Mo5  1  0.734  0.241  0.760  1.0
  Mo  Mo6  1  0.295  0.754  0.241  1.0
  Mo  Mo7  1  0.994  0.996  0.496  1.0
  Se  Se8  1  0.848  0.410  0.032  1.0
  Se  Se9  1  0.173  0.577  0.854  1.0
  Se  Se10  1  0.732  0.437  0.431  1.0
  Se  Se11  1  0.260  0.557  0.575  1.0
  Cl  Cl12  1  0.260  0.122  0.760  1.0
  Cl  Cl13  1  0.744  0.868  0.244  1.0
  O  O14  1  0.307  0.037  0.140  1.0
  O  O15  1  0.313  0.485  0.167  1.0
  O  O16  1  0.740  0.488  0.613  1.0
  O  O17  1  0.642  0.313  0.072  1.0
  O  O18  1  0.455  0.752  0.631  1.0
  O  O19  1  0.064  0.698  0.534  1.0
  O  O20  1  0.705  0.969  0.876  1.0
  O  O21  1  0.005  0.238  0.162  1.0
  O  O22  1  0.925  0.295  0.457  1.0
  O  O23  1  0.990  0.760  0.836  1.0
  O  O24  1  0.209  0.033  0.378  1.0
  O  O25  1  0.780  0.962  0.622  1.0
  O  O26  1  0.361  0.724  0.980  1.0
  O  O27  1  0.538  0.246  0.380  1.0
  O  O28  1  0.663  0.519  0.841  1.0
  O  O29  1  0.270  0.517  0.395  1.0
[/CIF]
.
The crystal structure described by Mo3AlSe2O8Cl crystallizes in the triclinic P1 space group. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(13), one O(4), one O(7), one Cl(1), and one Cl(2) atom to form distorted MoCl2O4 octahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with two equivalent Mo(6)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 32-49°. In the second Mo site, Mo(2) is bonded in a distorted square co-planar geometry to one O(11), one O(12), one O(14), and one O(5) atom. In the third Mo site, Mo(3) is bonded in a distorted square co-planar geometry to one O(1), one O(10), one O(7), and one O(8) atom. In the fourth Mo site, Mo(4) is bonded in a 4-coordinate geometry to one O(12), one O(15), one O(3), and one O(7) atom. In the fifth Mo site, Mo(5) is bonded in a 4-coordinate geometry to one O(1), one O(11), one O(16), and one O(2) atom. In the sixth Mo site, Mo(6) is bonded to one O(11), one O(12), one O(6), one O(9), one Cl(1), and one Cl(2) atom to form distorted MoCl2O4 octahedra that share  a cornercorner with one Al(1)O6 octahedra,  a cornercorner with one Al(2)O6 octahedra, and corners with two equivalent Mo(1)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 32-50°. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(1), one O(11), one O(14), one O(16), one O(2), and one O(8) atom to form AlO6 octahedra that share  a cornercorner with one Mo(1)Cl2O4 octahedra and  a cornercorner with one Mo(6)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second Al site, Al(2) is bonded to one O(10), one O(12), one O(15), one O(3), one O(5), and one O(7) atom to form AlO6 octahedra that share  a cornercorner with one Mo(1)Cl2O4 octahedra and  a cornercorner with one Mo(6)Cl2O4 octahedra. The corner-sharing octahedral tilt angles range from 48-49°. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted T-shaped geometry to one O(15), one O(4), and one O(8) atom. In the second Se site, Se(2) is bonded in a water-like geometry to one O(10) and one O(13) atom. In the third Se site, Se(3) is bonded in a distorted trigonal non-coplanar geometry to one O(14), one O(3), and one O(9) atom. In the fourth Se site, Se(4) is bonded in a distorted trigonal non-coplanar geometry to one O(16), one O(5), and one O(6) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Mo(1), one Mo(3), one Mo(5), and one Al(1) atom to form distorted corner-sharing OAlMo3 trigonal pyramids. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mo(5) and one Al(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mo(4), one Al(2), and one Se(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mo(1) and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mo(2), one Al(2), and one Se(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(6) and one Se(4) atom. In the seventh O site, O(7) is bonded to one Mo(1), one Mo(3), one Mo(4), and one Al(2) atom to form distorted corner-sharing OAlMo3 tetrahedra. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Mo(3), one Al(1), and one Se(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mo(6) and one Se(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mo(3), one Al(2), and one Se(2) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Mo(2), one Mo(5), one Mo(6), and one Al(1) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Mo(2), one Mo(4), one Mo(6), and one Al(2) atom. In the thirteenth O site, O(13) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Se(2) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Mo(2), one Al(1), and one Se(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mo(4), one Al(2), and one Se(1) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Mo(5), one Al(1), and one Se(4) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 150 degrees geometry to one Mo(1) and one Mo(6) atom. In the second Cl site, Cl(2) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Mo(6) atom. is represented by the CIF card [CIF]
data_AlMo3Se2ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.273
_cell_length_b   6.550
_cell_length_c   9.752
_cell_angle_alpha   93.991
_cell_angle_beta   106.381
_cell_angle_gamma   93.643
_symmetry_Int_Tables_number   1
_cell_volume   442.926
_cell_formula_units_Z   2
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
  Al  Al0  1  0.264  0.267  0.265  1.0
  Al  Al1  1  0.722  0.736  0.745  1.0
  Mo  Mo2  1  0.507  0.015  0.008  1.0
  Mo  Mo3  1  0.493  0.991  0.499  1.0
  Mo  Mo4  1  0.007  0.991  0.008  1.0
  Mo  Mo5  1  0.734  0.241  0.760  1.0
  Mo  Mo6  1  0.295  0.754  0.241  1.0
  Mo  Mo7  1  0.994  0.996  0.496  1.0
  Se  Se8  1  0.848  0.410  0.032  1.0
  Se  Se9  1  0.173  0.577  0.854  1.0
  Se  Se10  1  0.732  0.437  0.431  1.0
  Se  Se11  1  0.260  0.557  0.575  1.0
  Cl  Cl12  1  0.260  0.122  0.760  1.0
  Cl  Cl13  1  0.744  0.868  0.244  1.0
  O  O14  1  0.307  0.037  0.140  1.0
  O  O15  1  0.313  0.485  0.167  1.0
  O  O16  1  0.740  0.488  0.613  1.0
  O  O17  1  0.642  0.313  0.072  1.0
  O  O18  1  0.455  0.752  0.631  1.0
  O  O19  1  0.064  0.698  0.534  1.0
  O  O20  1  0.705  0.969  0.876  1.0
  O  O21  1  0.005  0.238  0.162  1.0
  O  O22  1  0.925  0.295  0.457  1.0
  O  O23  1  0.990  0.760  0.836  1.0
  O  O24  1  0.209  0.033  0.378  1.0
  O  O25  1  0.780  0.962  0.622  1.0
  O  O26  1  0.361  0.724  0.980  1.0
  O  O27  1  0.538  0.246  0.380  1.0
  O  O28  1  0.663  0.519  0.841  1.0
  O  O29  1  0.270  0.517  0.395  1.0
[/CIF]
.