The material described by MoZn2SeO7 crystallizes in the monoclinic P2_1 space group. Mo(1) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form MoO4 tetrahedra that share corners with three equivalent Zn(2)O6 octahedra and  a cornercorner with one Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-60°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form distorted ZnO4 tetrahedra that share corners with three equivalent Zn(2)O6 octahedra and  a cornercorner with one Mo(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-68°. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted ZnO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra and corners with three equivalent Zn(1)O4 tetrahedra. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one Se(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Zn(2), and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mo(1) and one Zn(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one Zn(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(1) and one Zn(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_Zn2MoSeO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.490
_cell_length_b   5.250
_cell_length_c   7.269
_cell_angle_alpha   81.520
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.450
_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
  Zn  Zn0  1  0.457  0.937  0.509  1.0
  Zn  Zn1  1  0.957  0.063  0.491  1.0
  Zn  Zn2  1  0.636  0.534  0.226  1.0
  Zn  Zn3  1  0.136  0.466  0.774  1.0
  Mo  Mo4  1  0.469  0.074  0.985  1.0
  Mo  Mo5  1  0.969  0.926  0.015  1.0
  Se  Se6  1  0.759  0.542  0.618  1.0
  Se  Se7  1  0.259  0.458  0.382  1.0
  O  O8  1  0.939  0.705  0.624  1.0
  O  O9  1  0.439  0.295  0.376  1.0
  O  O10  1  0.662  0.764  0.454  1.0
  O  O11  1  0.162  0.236  0.546  1.0
  O  O12  1  0.451  0.801  0.170  1.0
  O  O13  1  0.951  0.199  0.830  1.0
  O  O14  1  0.792  0.337  0.452  1.0
  O  O15  1  0.292  0.663  0.548  1.0
  O  O16  1  0.622  0.283  0.046  1.0
  O  O17  1  0.122  0.717  0.954  1.0
  O  O18  1  0.288  0.251  0.954  1.0
  O  O19  1  0.788  0.749  0.046  1.0
  O  O20  1  0.519  0.973  0.767  1.0
  O  O21  1  0.019  0.027  0.233  1.0
[/CIF]
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The material described by MoZn2SeO7 crystallizes in the monoclinic P2_1 space group. Mo(1) is bonded to one O(3), one O(5), one O(6), and one O(7) atom to form MoO4 tetrahedra that share corners with three equivalent Zn(2)O6 octahedra and  a cornercorner with one Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 32-60°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(4), and one O(7) atom to form distorted ZnO4 tetrahedra that share corners with three equivalent Zn(2)O6 octahedra and  a cornercorner with one Mo(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 40-68°. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted ZnO6 octahedra that share corners with three equivalent Mo(1)O4 tetrahedra and corners with three equivalent Zn(1)O4 tetrahedra. Se(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(4) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one Se(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Zn(1), one Zn(2), and one Se(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mo(1) and one Zn(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zn(1), one Zn(2), and one Se(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one Zn(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mo(1) and one Zn(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(1) and one Zn(1) atom. is represented by the CIF card [CIF]
data_Zn2MoSeO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.490
_cell_length_b   5.250
_cell_length_c   7.269
_cell_angle_alpha   81.520
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   320.450
_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
  Zn  Zn0  1  0.457  0.937  0.509  1.0
  Zn  Zn1  1  0.957  0.063  0.491  1.0
  Zn  Zn2  1  0.636  0.534  0.226  1.0
  Zn  Zn3  1  0.136  0.466  0.774  1.0
  Mo  Mo4  1  0.469  0.074  0.985  1.0
  Mo  Mo5  1  0.969  0.926  0.015  1.0
  Se  Se6  1  0.759  0.542  0.618  1.0
  Se  Se7  1  0.259  0.458  0.382  1.0
  O  O8  1  0.939  0.705  0.624  1.0
  O  O9  1  0.439  0.295  0.376  1.0
  O  O10  1  0.662  0.764  0.454  1.0
  O  O11  1  0.162  0.236  0.546  1.0
  O  O12  1  0.451  0.801  0.170  1.0
  O  O13  1  0.951  0.199  0.830  1.0
  O  O14  1  0.792  0.337  0.452  1.0
  O  O15  1  0.292  0.663  0.548  1.0
  O  O16  1  0.622  0.283  0.046  1.0
  O  O17  1  0.122  0.717  0.954  1.0
  O  O18  1  0.288  0.251  0.954  1.0
  O  O19  1  0.788  0.749  0.046  1.0
  O  O20  1  0.519  0.973  0.767  1.0
  O  O21  1  0.019  0.027  0.233  1.0
[/CIF]
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