The material described by Y2MoSe3O12 crystallizes in the triclinic P-1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), two equivalent O(12), and two equivalent O(8) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(6), one O(7), and one O(8) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(10), one O(4), and one O(9) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(11), one O(12), and one O(2) atom. There are twelve inequivalent O sites. In the first O site, O(11) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Se(3) atom. In the second O site, O(12) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Se(3) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one Y(1) and one Mo(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Y(1), one Mo(1), and one Se(3) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Y(2) and one Mo(1) atom. In the sixth O site, O(4) is bonded in a trigonal planar geometry to one Y(2), one Mo(1), and one Se(2) atom. In the seventh O site, O(5) is bonded in a distorted linear geometry to one Y(2) and one Mo(1) atom. In the eighth O site, O(6) is bonded in a trigonal planar geometry to one Y(2), one Mo(1), and one Se(1) atom. In the ninth O site, O(7) is bonded in a bent 120 degrees geometry to one Y(2) and one Se(1) atom. In the tenth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Se(1) atom. In the eleventh O site, O(9) is bonded in a water-like geometry to one Y(2) and one Se(2) atom. In the twelfth O site, O(10) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Mo(SeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.506
_cell_length_b   7.080
_cell_length_c   10.759
_cell_angle_alpha   84.821
_cell_angle_beta   73.123
_cell_angle_gamma   86.579
_symmetry_Int_Tables_number   1
_cell_volume   471.989
_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  0.732  0.638  0.509  1.0
  Y  Y1  1  0.268  0.362  0.491  1.0
  Y  Y2  1  0.204  0.183  0.168  1.0
  Y  Y3  1  0.796  0.817  0.832  1.0
  Mo  Mo4  1  0.722  0.893  0.206  1.0
  Mo  Mo5  1  0.278  0.107  0.794  1.0
  Se  Se6  1  0.205  0.661  0.216  1.0
  Se  Se7  1  0.795  0.339  0.784  1.0
  Se  Se8  1  0.660  0.365  0.141  1.0
  Se  Se9  1  0.340  0.635  0.859  1.0
  Se  Se10  1  0.787  0.139  0.494  1.0
  Se  Se11  1  0.213  0.861  0.506  1.0
  O  O12  1  0.693  0.674  0.298  1.0
  O  O13  1  0.307  0.326  0.702  1.0
  O  O14  1  0.718  0.960  0.417  1.0
  O  O15  1  0.282  0.040  0.583  1.0
  O  O16  1  0.453  0.976  0.233  1.0
  O  O17  1  0.547  0.024  0.767  1.0
  O  O18  1  0.824  0.172  0.179  1.0
  O  O19  1  0.176  0.828  0.821  1.0
  O  O20  1  0.786  0.834  0.045  1.0
  O  O21  1  0.214  0.166  0.955  1.0
  O  O22  1  0.060  0.873  0.195  1.0
  O  O23  1  0.940  0.127  0.805  1.0
  O  O24  1  0.100  0.500  0.148  1.0
  O  O25  1  0.900  0.500  0.852  1.0
  O  O26  1  0.082  0.601  0.381  1.0
  O  O27  1  0.918  0.399  0.619  1.0
  O  O28  1  0.552  0.271  0.037  1.0
  O  O29  1  0.448  0.729  0.963  1.0
  O  O30  1  0.427  0.348  0.270  1.0
  O  O31  1  0.573  0.652  0.730  1.0
  O  O32  1  0.041  0.191  0.393  1.0
  O  O33  1  0.959  0.809  0.607  1.0
  O  O34  1  0.641  0.338  0.459  1.0
  O  O35  1  0.359  0.662  0.541  1.0
[/CIF]
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The material described by Y2MoSe3O12 crystallizes in the triclinic P-1 space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(2), two equivalent O(12), and two equivalent O(8) atoms. In the second Y site, Y(2) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(9) atom. Mo(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are three inequivalent Se sites. In the first Se site, Se(1) is bonded in a trigonal non-coplanar geometry to one O(6), one O(7), and one O(8) atom. In the second Se site, Se(2) is bonded in a trigonal non-coplanar geometry to one O(10), one O(4), and one O(9) atom. In the third Se site, Se(3) is bonded in a trigonal non-coplanar geometry to one O(11), one O(12), and one O(2) atom. There are twelve inequivalent O sites. In the first O site, O(11) is bonded in a distorted trigonal planar geometry to one Y(1), one Y(2), and one Se(3) atom. In the second O site, O(12) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Se(3) atom. In the third O site, O(1) is bonded in a bent 120 degrees geometry to one Y(1) and one Mo(1) atom. In the fourth O site, O(2) is bonded in a 3-coordinate geometry to one Y(1), one Mo(1), and one Se(3) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one Y(2) and one Mo(1) atom. In the sixth O site, O(4) is bonded in a trigonal planar geometry to one Y(2), one Mo(1), and one Se(2) atom. In the seventh O site, O(5) is bonded in a distorted linear geometry to one Y(2) and one Mo(1) atom. In the eighth O site, O(6) is bonded in a trigonal planar geometry to one Y(2), one Mo(1), and one Se(1) atom. In the ninth O site, O(7) is bonded in a bent 120 degrees geometry to one Y(2) and one Se(1) atom. In the tenth O site, O(8) is bonded in a distorted trigonal planar geometry to two equivalent Y(1) and one Se(1) atom. In the eleventh O site, O(9) is bonded in a water-like geometry to one Y(2) and one Se(2) atom. In the twelfth O site, O(10) is bonded in a 3-coordinate geometry to one Y(1), one Y(2), and one Se(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y2Mo(SeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.506
_cell_length_b   7.080
_cell_length_c   10.759
_cell_angle_alpha   84.821
_cell_angle_beta   73.123
_cell_angle_gamma   86.579
_symmetry_Int_Tables_number   1
_cell_volume   471.989
_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  0.732  0.638  0.509  1.0
  Y  Y1  1  0.268  0.362  0.491  1.0
  Y  Y2  1  0.204  0.183  0.168  1.0
  Y  Y3  1  0.796  0.817  0.832  1.0
  Mo  Mo4  1  0.722  0.893  0.206  1.0
  Mo  Mo5  1  0.278  0.107  0.794  1.0
  Se  Se6  1  0.205  0.661  0.216  1.0
  Se  Se7  1  0.795  0.339  0.784  1.0
  Se  Se8  1  0.660  0.365  0.141  1.0
  Se  Se9  1  0.340  0.635  0.859  1.0
  Se  Se10  1  0.787  0.139  0.494  1.0
  Se  Se11  1  0.213  0.861  0.506  1.0
  O  O12  1  0.693  0.674  0.298  1.0
  O  O13  1  0.307  0.326  0.702  1.0
  O  O14  1  0.718  0.960  0.417  1.0
  O  O15  1  0.282  0.040  0.583  1.0
  O  O16  1  0.453  0.976  0.233  1.0
  O  O17  1  0.547  0.024  0.767  1.0
  O  O18  1  0.824  0.172  0.179  1.0
  O  O19  1  0.176  0.828  0.821  1.0
  O  O20  1  0.786  0.834  0.045  1.0
  O  O21  1  0.214  0.166  0.955  1.0
  O  O22  1  0.060  0.873  0.195  1.0
  O  O23  1  0.940  0.127  0.805  1.0
  O  O24  1  0.100  0.500  0.148  1.0
  O  O25  1  0.900  0.500  0.852  1.0
  O  O26  1  0.082  0.601  0.381  1.0
  O  O27  1  0.918  0.399  0.619  1.0
  O  O28  1  0.552  0.271  0.037  1.0
  O  O29  1  0.448  0.729  0.963  1.0
  O  O30  1  0.427  0.348  0.270  1.0
  O  O31  1  0.573  0.652  0.730  1.0
  O  O32  1  0.041  0.191  0.393  1.0
  O  O33  1  0.959  0.809  0.607  1.0
  O  O34  1  0.641  0.338  0.459  1.0
  O  O35  1  0.359  0.662  0.541  1.0
[/CIF]
.