The material structure described by Zn(MoO2)2 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form edge-sharing MoO6 octahedra. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing MoO6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(3) atoms. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mo(1), two equivalent Mo(2), and one Zn(1) atom. In the second O site, O(2) is bonded to one Mo(1), two equivalent Mo(2), and one Zn(2) atom to form OZnMo3 trigonal pyramids that share corners with four equivalent O(3)Zn2Mo3 trigonal bipyramids, corners with three equivalent O(2)ZnMo3 trigonal pyramids, and edges with four equivalent O(3)Zn2Mo3 trigonal bipyramids. In the third O site, O(3) is bonded to one Mo(2), two equivalent Mo(1), one Zn(1), and one Zn(2) atom to form OZn2Mo3 trigonal bipyramids that share corners with five equivalent O(3)Zn2Mo3 trigonal bipyramids, corners with two equivalent O(2)ZnMo3 trigonal pyramids, edges with four equivalent O(3)Zn2Mo3 trigonal bipyramids, and edges with two equivalent O(2)ZnMo3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.528
_cell_length_b   6.437
_cell_length_c   10.464
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   372.380
_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
  Zn  Zn0  1  0.862  0.000  0.500  1.0
  Zn  Zn1  1  0.138  0.500  0.000  1.0
  Zn  Zn2  1  0.549  0.000  0.000  1.0
  Zn  Zn3  1  0.451  0.500  0.500  1.0
  Mo  Mo4  1  0.517  0.500  0.230  1.0
  Mo  Mo5  1  0.517  0.500  0.770  1.0
  Mo  Mo6  1  0.483  0.000  0.270  1.0
  Mo  Mo7  1  0.483  0.000  0.730  1.0
  Mo  Mo8  1  0.000  0.250  0.250  1.0
  Mo  Mo9  1  0.000  0.750  0.750  1.0
  Mo  Mo10  1  0.000  0.750  0.250  1.0
  Mo  Mo11  1  0.000  0.250  0.750  1.0
  O  O12  1  0.873  0.500  0.136  1.0
  O  O13  1  0.873  0.500  0.864  1.0
  O  O14  1  0.127  0.000  0.364  1.0
  O  O15  1  0.127  0.000  0.636  1.0
  O  O16  1  0.203  0.500  0.348  1.0
  O  O17  1  0.203  0.500  0.652  1.0
  O  O18  1  0.797  0.000  0.152  1.0
  O  O19  1  0.797  0.000  0.848  1.0
  O  O20  1  0.665  0.257  0.362  1.0
  O  O21  1  0.665  0.743  0.638  1.0
  O  O22  1  0.335  0.757  0.138  1.0
  O  O23  1  0.335  0.243  0.862  1.0
  O  O24  1  0.335  0.243  0.138  1.0
  O  O25  1  0.335  0.757  0.862  1.0
  O  O26  1  0.665  0.743  0.362  1.0
  O  O27  1  0.665  0.257  0.638  1.0
[/CIF]
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The material structure described by Zn(MoO2)2 crystallizes in the orthorhombic Pmmn space group. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), and four equivalent O(3) atoms to form edge-sharing MoO6 octahedra. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing MoO6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(3) atoms. In the second Zn site, Zn(2) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mo(1), two equivalent Mo(2), and one Zn(1) atom. In the second O site, O(2) is bonded to one Mo(1), two equivalent Mo(2), and one Zn(2) atom to form OZnMo3 trigonal pyramids that share corners with four equivalent O(3)Zn2Mo3 trigonal bipyramids, corners with three equivalent O(2)ZnMo3 trigonal pyramids, and edges with four equivalent O(3)Zn2Mo3 trigonal bipyramids. In the third O site, O(3) is bonded to one Mo(2), two equivalent Mo(1), one Zn(1), and one Zn(2) atom to form OZn2Mo3 trigonal bipyramids that share corners with five equivalent O(3)Zn2Mo3 trigonal bipyramids, corners with two equivalent O(2)ZnMo3 trigonal pyramids, edges with four equivalent O(3)Zn2Mo3 trigonal bipyramids, and edges with two equivalent O(2)ZnMo3 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn(MoO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.528
_cell_length_b   6.437
_cell_length_c   10.464
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   372.380
_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
  Zn  Zn0  1  0.862  0.000  0.500  1.0
  Zn  Zn1  1  0.138  0.500  0.000  1.0
  Zn  Zn2  1  0.549  0.000  0.000  1.0
  Zn  Zn3  1  0.451  0.500  0.500  1.0
  Mo  Mo4  1  0.517  0.500  0.230  1.0
  Mo  Mo5  1  0.517  0.500  0.770  1.0
  Mo  Mo6  1  0.483  0.000  0.270  1.0
  Mo  Mo7  1  0.483  0.000  0.730  1.0
  Mo  Mo8  1  0.000  0.250  0.250  1.0
  Mo  Mo9  1  0.000  0.750  0.750  1.0
  Mo  Mo10  1  0.000  0.750  0.250  1.0
  Mo  Mo11  1  0.000  0.250  0.750  1.0
  O  O12  1  0.873  0.500  0.136  1.0
  O  O13  1  0.873  0.500  0.864  1.0
  O  O14  1  0.127  0.000  0.364  1.0
  O  O15  1  0.127  0.000  0.636  1.0
  O  O16  1  0.203  0.500  0.348  1.0
  O  O17  1  0.203  0.500  0.652  1.0
  O  O18  1  0.797  0.000  0.152  1.0
  O  O19  1  0.797  0.000  0.848  1.0
  O  O20  1  0.665  0.257  0.362  1.0
  O  O21  1  0.665  0.743  0.638  1.0
  O  O22  1  0.335  0.757  0.138  1.0
  O  O23  1  0.335  0.243  0.862  1.0
  O  O24  1  0.335  0.243  0.138  1.0
  O  O25  1  0.335  0.757  0.862  1.0
  O  O26  1  0.665  0.743  0.362  1.0
  O  O27  1  0.665  0.257  0.638  1.0
[/CIF]
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