The structure described by Mo2Zn2O5 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form distorted MoO4 tetrahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. In the second Mo site, Mo(2) is bonded in a see-saw-like geometry to one O(1), one O(2), and two equivalent O(5) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4), one O(5), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with two equivalent Zn(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(4), one O(5), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, and corners with four equivalent Mo(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mo(2) and two equivalent Zn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Zn(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Mo(1), one Zn(1), and one Zn(2) atom to form corner-sharing OZn2Mo2 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Mo(2), one Zn(1), and one Zn(2) atom to form corner-sharing OZn2Mo2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2Mo2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.386
_cell_length_b   5.170
_cell_length_c   14.919
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.181
_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  0.500  0.986  0.814  1.0
  Zn  Zn1  1  0.500  0.519  0.196  1.0
  Zn  Zn2  1  0.500  0.481  0.696  1.0
  Zn  Zn3  1  0.500  0.014  0.314  1.0
  Mo  Mo4  1  0.000  0.987  0.597  1.0
  Mo  Mo5  1  0.000  0.509  0.407  1.0
  Mo  Mo6  1  0.000  0.013  0.097  1.0
  Mo  Mo7  1  0.000  0.491  0.907  1.0
  O  O8  1  0.000  0.198  0.498  1.0
  O  O9  1  0.000  0.856  0.338  1.0
  O  O10  1  0.000  0.377  0.149  1.0
  O  O11  1  0.000  0.144  0.838  1.0
  O  O12  1  0.500  0.919  0.173  1.0
  O  O13  1  0.500  0.602  0.828  1.0
  O  O14  1  0.000  0.623  0.649  1.0
  O  O15  1  0.500  0.081  0.673  1.0
  O  O16  1  0.000  0.802  0.998  1.0
  O  O17  1  0.500  0.398  0.328  1.0
[/CIF]
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The structure described by Mo2Zn2O5 crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form distorted MoO4 tetrahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. In the second Mo site, Mo(2) is bonded in a see-saw-like geometry to one O(1), one O(2), and two equivalent O(5) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(4), one O(5), and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with two equivalent Zn(2)O4 tetrahedra. In the second Zn site, Zn(2) is bonded to one O(4), one O(5), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, and corners with four equivalent Mo(1)O4 tetrahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mo(1) and one Mo(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mo(2) and two equivalent Zn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Zn(2) atoms. In the fourth O site, O(4) is bonded to two equivalent Mo(1), one Zn(1), and one Zn(2) atom to form corner-sharing OZn2Mo2 tetrahedra. In the fifth O site, O(5) is bonded to two equivalent Mo(2), one Zn(1), and one Zn(2) atom to form corner-sharing OZn2Mo2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2Mo2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.386
_cell_length_b   5.170
_cell_length_c   14.919
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   261.181
_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  0.500  0.986  0.814  1.0
  Zn  Zn1  1  0.500  0.519  0.196  1.0
  Zn  Zn2  1  0.500  0.481  0.696  1.0
  Zn  Zn3  1  0.500  0.014  0.314  1.0
  Mo  Mo4  1  0.000  0.987  0.597  1.0
  Mo  Mo5  1  0.000  0.509  0.407  1.0
  Mo  Mo6  1  0.000  0.013  0.097  1.0
  Mo  Mo7  1  0.000  0.491  0.907  1.0
  O  O8  1  0.000  0.198  0.498  1.0
  O  O9  1  0.000  0.856  0.338  1.0
  O  O10  1  0.000  0.377  0.149  1.0
  O  O11  1  0.000  0.144  0.838  1.0
  O  O12  1  0.500  0.919  0.173  1.0
  O  O13  1  0.500  0.602  0.828  1.0
  O  O14  1  0.000  0.623  0.649  1.0
  O  O15  1  0.500  0.081  0.673  1.0
  O  O16  1  0.000  0.802  0.998  1.0
  O  O17  1  0.500  0.398  0.328  1.0
[/CIF]
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