The material described by YTl(MoO4)2 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form YO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra and corners with three equivalent Mo(2)O4 tetrahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), and two equivalent O(6) atoms to form MoO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-45°. In the second Mo site, Mo(2) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form MoO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-34°. Tl(1) is bonded in a single-bond geometry to one O(3) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Y(1) and one Mo(2) atom. In the second O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one Mo(1) atom. In the third O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Y(1) and one Mo(1) atom. In the fifth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one Tl(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Y(1) and one Mo(2) atom. is represented by the CIF file [CIF]
data_YTl(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.135
_cell_length_b   15.533
_cell_length_c   9.164
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   873.308
_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
  Y  Y0  1  0.750  0.894  0.695  1.0
  Y  Y1  1  0.250  0.106  0.305  1.0
  Y  Y2  1  0.250  0.606  0.195  1.0
  Y  Y3  1  0.750  0.394  0.805  1.0
  Tl  Tl4  1  0.750  0.626  0.561  1.0
  Tl  Tl5  1  0.250  0.374  0.439  1.0
  Tl  Tl6  1  0.250  0.874  0.061  1.0
  Tl  Tl7  1  0.750  0.126  0.939  1.0
  Mo  Mo8  1  0.750  0.960  0.281  1.0
  Mo  Mo9  1  0.250  0.040  0.719  1.0
  Mo  Mo10  1  0.250  0.540  0.781  1.0
  Mo  Mo11  1  0.750  0.460  0.219  1.0
  Mo  Mo12  1  0.750  0.716  0.994  1.0
  Mo  Mo13  1  0.250  0.284  0.006  1.0
  Mo  Mo14  1  0.250  0.784  0.494  1.0
  Mo  Mo15  1  0.750  0.216  0.506  1.0
  O  O16  1  0.750  0.854  0.220  1.0
  O  O17  1  0.250  0.146  0.780  1.0
  O  O18  1  0.250  0.646  0.720  1.0
  O  O19  1  0.750  0.354  0.280  1.0
  O  O20  1  0.750  0.963  0.477  1.0
  O  O21  1  0.250  0.037  0.523  1.0
  O  O22  1  0.250  0.537  0.977  1.0
  O  O23  1  0.750  0.463  0.023  1.0
  O  O24  1  0.750  0.641  0.851  1.0
  O  O25  1  0.250  0.359  0.149  1.0
  O  O26  1  0.250  0.859  0.351  1.0
  O  O27  1  0.750  0.141  0.649  1.0
  O  O28  1  0.750  0.821  0.908  1.0
  O  O29  1  0.250  0.179  0.092  1.0
  O  O30  1  0.250  0.679  0.408  1.0
  O  O31  1  0.750  0.321  0.592  1.0
  O  O32  1  0.004  0.803  0.600  1.0
  O  O33  1  0.996  0.197  0.400  1.0
  O  O34  1  0.996  0.697  0.100  1.0
  O  O35  1  0.504  0.197  0.400  1.0
  O  O36  1  0.004  0.303  0.900  1.0
  O  O37  1  0.496  0.803  0.600  1.0
  O  O38  1  0.496  0.303  0.900  1.0
  O  O39  1  0.504  0.697  0.100  1.0
  O  O40  1  0.490  0.984  0.791  1.0
  O  O41  1  0.510  0.016  0.209  1.0
  O  O42  1  0.510  0.516  0.291  1.0
  O  O43  1  0.990  0.016  0.209  1.0
  O  O44  1  0.490  0.484  0.709  1.0
  O  O45  1  0.010  0.984  0.791  1.0
  O  O46  1  0.010  0.484  0.709  1.0
  O  O47  1  0.990  0.516  0.291  1.0
[/CIF]
.
The material described by YTl(MoO4)2 crystallizes in the orthorhombic Pnma space group. Y(1) is bonded to one O(2), one O(4), two equivalent O(5), and two equivalent O(6) atoms to form YO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra and corners with three equivalent Mo(2)O4 tetrahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), and two equivalent O(6) atoms to form MoO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-45°. In the second Mo site, Mo(2) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form MoO4 tetrahedra that share corners with three equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-34°. Tl(1) is bonded in a single-bond geometry to one O(3) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a bent 150 degrees geometry to one Y(1) and one Mo(2) atom. In the second O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one Mo(1) atom. In the third O site, O(1) is bonded in a single-bond geometry to one Mo(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Y(1) and one Mo(1) atom. In the fifth O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Mo(2) and one Tl(1) atom. In the sixth O site, O(4) is bonded in a bent 150 degrees geometry to one Y(1) and one Mo(2) atom. is represented by the CIF file [CIF]
data_YTl(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.135
_cell_length_b   15.533
_cell_length_c   9.164
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   873.308
_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
  Y  Y0  1  0.750  0.894  0.695  1.0
  Y  Y1  1  0.250  0.106  0.305  1.0
  Y  Y2  1  0.250  0.606  0.195  1.0
  Y  Y3  1  0.750  0.394  0.805  1.0
  Tl  Tl4  1  0.750  0.626  0.561  1.0
  Tl  Tl5  1  0.250  0.374  0.439  1.0
  Tl  Tl6  1  0.250  0.874  0.061  1.0
  Tl  Tl7  1  0.750  0.126  0.939  1.0
  Mo  Mo8  1  0.750  0.960  0.281  1.0
  Mo  Mo9  1  0.250  0.040  0.719  1.0
  Mo  Mo10  1  0.250  0.540  0.781  1.0
  Mo  Mo11  1  0.750  0.460  0.219  1.0
  Mo  Mo12  1  0.750  0.716  0.994  1.0
  Mo  Mo13  1  0.250  0.284  0.006  1.0
  Mo  Mo14  1  0.250  0.784  0.494  1.0
  Mo  Mo15  1  0.750  0.216  0.506  1.0
  O  O16  1  0.750  0.854  0.220  1.0
  O  O17  1  0.250  0.146  0.780  1.0
  O  O18  1  0.250  0.646  0.720  1.0
  O  O19  1  0.750  0.354  0.280  1.0
  O  O20  1  0.750  0.963  0.477  1.0
  O  O21  1  0.250  0.037  0.523  1.0
  O  O22  1  0.250  0.537  0.977  1.0
  O  O23  1  0.750  0.463  0.023  1.0
  O  O24  1  0.750  0.641  0.851  1.0
  O  O25  1  0.250  0.359  0.149  1.0
  O  O26  1  0.250  0.859  0.351  1.0
  O  O27  1  0.750  0.141  0.649  1.0
  O  O28  1  0.750  0.821  0.908  1.0
  O  O29  1  0.250  0.179  0.092  1.0
  O  O30  1  0.250  0.679  0.408  1.0
  O  O31  1  0.750  0.321  0.592  1.0
  O  O32  1  0.004  0.803  0.600  1.0
  O  O33  1  0.996  0.197  0.400  1.0
  O  O34  1  0.996  0.697  0.100  1.0
  O  O35  1  0.504  0.197  0.400  1.0
  O  O36  1  0.004  0.303  0.900  1.0
  O  O37  1  0.496  0.803  0.600  1.0
  O  O38  1  0.496  0.303  0.900  1.0
  O  O39  1  0.504  0.697  0.100  1.0
  O  O40  1  0.490  0.984  0.791  1.0
  O  O41  1  0.510  0.016  0.209  1.0
  O  O42  1  0.510  0.516  0.291  1.0
  O  O43  1  0.990  0.016  0.209  1.0
  O  O44  1  0.490  0.484  0.709  1.0
  O  O45  1  0.010  0.984  0.791  1.0
  O  O46  1  0.010  0.484  0.709  1.0
  O  O47  1  0.990  0.516  0.291  1.0
[/CIF]
.