The compound described by YMo3Se2O8Cl crystallizes in the triclinic P1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted body-centered cubic geometry to one O(1), one O(11), one O(14), one O(16), one O(2), one O(4), one O(8), and one O(9) atom. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(13), one O(15), one O(3), one O(5), one O(6), and one O(7) atom. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to one O(1), one O(13), one O(4), one O(7), and one Cl(1) atom. In the second Mo site, Mo(2) is bonded in a 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 octahedral geometry to one O(1), one O(10), one O(7), one O(8), one Cl(1), and one Cl(2) atom. In the fourth Mo site, Mo(4) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(15), one O(3), one O(7), and one Cl(1) atom. In the fifth Mo site, Mo(5) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(16), one O(2), and one Cl(2) atom. In the sixth Mo site, Mo(6) is bonded in a square co-planar geometry to one O(11), one O(12), one O(6), and one O(9) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a water-like geometry to 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 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 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 Y(1), one Mo(1), one Mo(3), and one Mo(5) atom to form a mixture of corner and edge-sharing OYMo3 tetrahedra. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Y(1) and one Mo(5) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Y(2), one Mo(4), and one Se(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Y(1), one Mo(1), and one Se(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Y(2), one Mo(2), and one Se(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Y(2), one Mo(6), and one Se(4) atom. In the seventh O site, O(7) is bonded to one Y(2), one Mo(1), one Mo(3), and one Mo(4) atom to form a mixture of distorted corner and edge-sharing OYMo3 tetrahedra. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Y(1), one Mo(3), and one Se(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Y(1), one Mo(6), and one Se(3) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Y(2), one Mo(3), and one Se(2) atom. In the eleventh O site, O(11) is bonded to one Y(1), one Mo(2), one Mo(5), and one Mo(6) atom to form a mixture of corner and edge-sharing OYMo3 tetrahedra. In the twelfth O site, O(12) is bonded to one Y(2), one Mo(2), one Mo(4), and one Mo(6) atom to form a mixture of corner and edge-sharing OYMo3 tetrahedra. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one Y(2), 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 Y(1), one Mo(2), and one Se(3) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Y(2) and one Mo(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Y(1), one Mo(5), and one Se(4) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), and one Mo(4) atom. In the second Cl site, Cl(2) is bonded in an L-shaped geometry to one Mo(3) and one Mo(5) atom. is represented by the CIF file [CIF]
data_YMo3Se2ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.746
_cell_length_b   7.205
_cell_length_c   10.807
_cell_angle_alpha   86.373
_cell_angle_beta   89.650
_cell_angle_gamma   89.154
_symmetry_Int_Tables_number   1
_cell_volume   524.097
_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
  Y  Y0  1  0.748  0.738  0.263  1.0
  Y  Y1  1  0.244  0.262  0.748  1.0
  Mo  Mo2  1  0.498  0.998  1.000  1.0
  Mo  Mo3  1  0.501  0.011  0.494  1.0
  Mo  Mo4  1  0.995  0.987  0.998  1.0
  Mo  Mo5  1  0.261  0.759  0.754  1.0
  Mo  Mo6  1  0.777  0.242  0.235  1.0
  Mo  Mo7  1  0.002  0.005  0.501  1.0
  Se  Se8  1  0.265  0.624  0.143  1.0
  Se  Se9  1  0.731  0.366  0.859  1.0
  Se  Se10  1  0.249  0.599  0.436  1.0
  Se  Se11  1  0.762  0.416  0.558  1.0
  Cl  Cl12  1  0.817  0.797  0.852  1.0
  Cl  Cl13  1  0.137  0.190  0.177  1.0
  O  O14  1  0.749  0.029  0.121  1.0
  O  O15  1  0.667  0.463  0.178  1.0
  O  O16  1  0.216  0.583  0.598  1.0
  O  O17  1  0.447  0.803  0.158  1.0
  O  O18  1  0.546  0.285  0.565  1.0
  O  O19  1  0.951  0.255  0.599  1.0
  O  O20  1  0.248  0.960  0.883  1.0
  O  O21  1  0.031  0.756  0.135  1.0
  O  O22  1  0.057  0.760  0.399  1.0
  O  O23  1  0.961  0.225  0.869  1.0
  O  O24  1  0.754  0.023  0.370  1.0
  O  O25  1  0.255  0.994  0.621  1.0
  O  O26  1  0.551  0.187  0.840  1.0
  O  O27  1  0.466  0.735  0.422  1.0
  O  O28  1  0.307  0.516  0.832  1.0
  O  O29  1  0.808  0.434  0.394  1.0
[/CIF]
.
The compound described by YMo3Se2O8Cl crystallizes in the triclinic P1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted body-centered cubic geometry to one O(1), one O(11), one O(14), one O(16), one O(2), one O(4), one O(8), and one O(9) atom. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(13), one O(15), one O(3), one O(5), one O(6), and one O(7) atom. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 4-coordinate geometry to one O(1), one O(13), one O(4), one O(7), and one Cl(1) atom. In the second Mo site, Mo(2) is bonded in a 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 octahedral geometry to one O(1), one O(10), one O(7), one O(8), one Cl(1), and one Cl(2) atom. In the fourth Mo site, Mo(4) is bonded in a distorted rectangular see-saw-like geometry to one O(12), one O(15), one O(3), one O(7), and one Cl(1) atom. In the fifth Mo site, Mo(5) is bonded in a 5-coordinate geometry to one O(1), one O(11), one O(16), one O(2), and one Cl(2) atom. In the sixth Mo site, Mo(6) is bonded in a square co-planar geometry to one O(11), one O(12), one O(6), and one O(9) atom. There are four inequivalent Se sites. In the first Se site, Se(1) is bonded in a water-like geometry to 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 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 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 Y(1), one Mo(1), one Mo(3), and one Mo(5) atom to form a mixture of corner and edge-sharing OYMo3 tetrahedra. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Y(1) and one Mo(5) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Y(2), one Mo(4), and one Se(3) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Y(1), one Mo(1), and one Se(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Y(2), one Mo(2), and one Se(4) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Y(2), one Mo(6), and one Se(4) atom. In the seventh O site, O(7) is bonded to one Y(2), one Mo(1), one Mo(3), and one Mo(4) atom to form a mixture of distorted corner and edge-sharing OYMo3 tetrahedra. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Y(1), one Mo(3), and one Se(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Y(1), one Mo(6), and one Se(3) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Y(2), one Mo(3), and one Se(2) atom. In the eleventh O site, O(11) is bonded to one Y(1), one Mo(2), one Mo(5), and one Mo(6) atom to form a mixture of corner and edge-sharing OYMo3 tetrahedra. In the twelfth O site, O(12) is bonded to one Y(2), one Mo(2), one Mo(4), and one Mo(6) atom to form a mixture of corner and edge-sharing OYMo3 tetrahedra. In the thirteenth O site, O(13) is bonded in a trigonal non-coplanar geometry to one Y(2), 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 Y(1), one Mo(2), and one Se(3) atom. In the fifteenth O site, O(15) is bonded in a bent 120 degrees geometry to one Y(2) and one Mo(4) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Y(1), one Mo(5), and one Se(4) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a 3-coordinate geometry to one Mo(1), one Mo(3), and one Mo(4) atom. In the second Cl site, Cl(2) is bonded in an L-shaped geometry to one Mo(3) and one Mo(5) atom. is represented by the CIF file [CIF]
data_YMo3Se2ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.746
_cell_length_b   7.205
_cell_length_c   10.807
_cell_angle_alpha   86.373
_cell_angle_beta   89.650
_cell_angle_gamma   89.154
_symmetry_Int_Tables_number   1
_cell_volume   524.097
_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
  Y  Y0  1  0.748  0.738  0.263  1.0
  Y  Y1  1  0.244  0.262  0.748  1.0
  Mo  Mo2  1  0.498  0.998  1.000  1.0
  Mo  Mo3  1  0.501  0.011  0.494  1.0
  Mo  Mo4  1  0.995  0.987  0.998  1.0
  Mo  Mo5  1  0.261  0.759  0.754  1.0
  Mo  Mo6  1  0.777  0.242  0.235  1.0
  Mo  Mo7  1  0.002  0.005  0.501  1.0
  Se  Se8  1  0.265  0.624  0.143  1.0
  Se  Se9  1  0.731  0.366  0.859  1.0
  Se  Se10  1  0.249  0.599  0.436  1.0
  Se  Se11  1  0.762  0.416  0.558  1.0
  Cl  Cl12  1  0.817  0.797  0.852  1.0
  Cl  Cl13  1  0.137  0.190  0.177  1.0
  O  O14  1  0.749  0.029  0.121  1.0
  O  O15  1  0.667  0.463  0.178  1.0
  O  O16  1  0.216  0.583  0.598  1.0
  O  O17  1  0.447  0.803  0.158  1.0
  O  O18  1  0.546  0.285  0.565  1.0
  O  O19  1  0.951  0.255  0.599  1.0
  O  O20  1  0.248  0.960  0.883  1.0
  O  O21  1  0.031  0.756  0.135  1.0
  O  O22  1  0.057  0.760  0.399  1.0
  O  O23  1  0.961  0.225  0.869  1.0
  O  O24  1  0.754  0.023  0.370  1.0
  O  O25  1  0.255  0.994  0.621  1.0
  O  O26  1  0.551  0.187  0.840  1.0
  O  O27  1  0.466  0.735  0.422  1.0
  O  O28  1  0.307  0.516  0.832  1.0
  O  O29  1  0.808  0.434  0.394  1.0
[/CIF]
.