The material structure described by ZnMoO4 crystallizes in the triclinic P-1 space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form MoO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with two equivalent Zn(2)O6 octahedra, and corners with two equivalent Zn(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 16-58°. In the second Mo site, Mo(2) is bonded to one O(11), one O(2), one O(3), and one O(8) atom to form MoO4 tetrahedra that share corners with two equivalent Zn(2)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, and  a cornercorner with one Zn(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 26-61°. In the third Mo site, Mo(3) is bonded to one O(10), one O(12), one O(7), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Zn(2)O6 octahedra, and corners with two equivalent Zn(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-52°. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(11), one O(2), one O(5), one O(8), and one O(9) atom to form ZnO6 octahedra that share  a cornercorner with one Mo(3)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and  an edgeedge with one Zn(3)O5 trigonal bipyramid. In the second Zn site, Zn(2) is bonded to one O(10), one O(12), one O(4), one O(6), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra,  an edgeedge with one Zn(2)O6 octahedra, and  an edgeedge with one Zn(3)O5 trigonal bipyramid. In the third Zn site, Zn(3) is bonded to one O(1), one O(10), one O(6), one O(7), and one O(8) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one Mo(2)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and  an edgeedge with one Zn(2)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(11) is bonded in a bent 150 degrees geometry to one Mo(2) and one Zn(1) atom. In the second O site, O(12) is bonded in a bent 150 degrees geometry to one Mo(3) and one Zn(2) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Mo(1), one Zn(1), and one Zn(3) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(2) and one Zn(1) atom. In the fifth O site, O(3) is bonded in a distorted trigonal planar geometry to one Mo(2) and two equivalent Zn(2) atoms. In the sixth O site, O(4) is bonded in a linear geometry to one Mo(1) and one Zn(2) atom. In the seventh O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one Zn(1) atom. In the eighth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mo(1), one Zn(2), and one Zn(3) atom. In the ninth O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(3) and one Zn(3) atom. In the tenth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mo(2), one Zn(1), and one Zn(3) atom. In the eleventh O site, O(9) is bonded in a linear geometry to one Mo(3) and one Zn(1) atom. In the twelfth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mo(3), one Zn(2), and one Zn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.958
_cell_length_b   8.346
_cell_length_c   9.680
_cell_angle_alpha   96.657
_cell_angle_beta   107.090
_cell_angle_gamma   101.763
_symmetry_Int_Tables_number   1
_cell_volume   516.641
_cell_formula_units_Z   6
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  0.254  0.695  0.910  1.0
  Zn  Zn1  1  0.746  0.305  0.090  1.0
  Zn  Zn2  1  0.536  0.695  0.487  1.0
  Zn  Zn3  1  0.464  0.305  0.513  1.0
  Zn  Zn4  1  0.969  0.886  0.714  1.0
  Zn  Zn5  1  0.031  0.114  0.286  1.0
  Mo  Mo6  1  0.505  0.988  0.756  1.0
  Mo  Mo7  1  0.495  0.012  0.244  1.0
  Mo  Mo8  1  0.700  0.604  0.840  1.0
  Mo  Mo9  1  0.300  0.396  0.160  1.0
  Mo  Mo10  1  0.979  0.704  0.375  1.0
  Mo  Mo11  1  0.021  0.296  0.625  1.0
  O  O12  1  0.264  0.866  0.763  1.0
  O  O13  1  0.736  0.134  0.237  1.0
  O  O14  1  0.559  0.711  0.924  1.0
  O  O15  1  0.441  0.289  0.076  1.0
  O  O16  1  0.553  0.523  0.650  1.0
  O  O17  1  0.447  0.477  0.350  1.0
  O  O18  1  0.552  0.868  0.355  1.0
  O  O19  1  0.448  0.132  0.645  1.0
  O  O20  1  0.659  0.095  0.929  1.0
  O  O21  1  0.341  0.905  0.071  1.0
  O  O22  1  0.651  0.862  0.683  1.0
  O  O23  1  0.349  0.138  0.317  1.0
  O  O24  1  0.024  0.124  0.716  1.0
  O  O25  1  0.976  0.876  0.284  1.0
  O  O26  1  0.048  0.268  0.141  1.0
  O  O27  1  0.952  0.732  0.859  1.0
  O  O28  1  0.150  0.481  0.753  1.0
  O  O29  1  0.850  0.519  0.247  1.0
  O  O30  1  0.141  0.272  0.484  1.0
  O  O31  1  0.859  0.728  0.516  1.0
  O  O32  1  0.256  0.562  0.073  1.0
  O  O33  1  0.744  0.438  0.927  1.0
  O  O34  1  0.237  0.704  0.461  1.0
  O  O35  1  0.763  0.296  0.539  1.0
[/CIF]
.
The material structure described by ZnMoO4 crystallizes in the triclinic P-1 space group. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form MoO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with two equivalent Zn(2)O6 octahedra, and corners with two equivalent Zn(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 16-58°. In the second Mo site, Mo(2) is bonded to one O(11), one O(2), one O(3), and one O(8) atom to form MoO4 tetrahedra that share corners with two equivalent Zn(2)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, and  a cornercorner with one Zn(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 26-61°. In the third Mo site, Mo(3) is bonded to one O(10), one O(12), one O(7), and one O(9) atom to form MoO4 tetrahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Zn(2)O6 octahedra, and corners with two equivalent Zn(3)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 10-52°. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(11), one O(2), one O(5), one O(8), and one O(9) atom to form ZnO6 octahedra that share  a cornercorner with one Mo(3)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with three equivalent Mo(2)O4 tetrahedra, and  an edgeedge with one Zn(3)O5 trigonal bipyramid. In the second Zn site, Zn(2) is bonded to one O(10), one O(12), one O(4), one O(6), and two equivalent O(3) atoms to form ZnO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra,  an edgeedge with one Zn(2)O6 octahedra, and  an edgeedge with one Zn(3)O5 trigonal bipyramid. In the third Zn site, Zn(3) is bonded to one O(1), one O(10), one O(6), one O(7), and one O(8) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one Mo(2)O4 tetrahedra, corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(3)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and  an edgeedge with one Zn(2)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(11) is bonded in a bent 150 degrees geometry to one Mo(2) and one Zn(1) atom. In the second O site, O(12) is bonded in a bent 150 degrees geometry to one Mo(3) and one Zn(2) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Mo(1), one Zn(1), and one Zn(3) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(2) and one Zn(1) atom. In the fifth O site, O(3) is bonded in a distorted trigonal planar geometry to one Mo(2) and two equivalent Zn(2) atoms. In the sixth O site, O(4) is bonded in a linear geometry to one Mo(1) and one Zn(2) atom. In the seventh O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(1) and one Zn(1) atom. In the eighth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mo(1), one Zn(2), and one Zn(3) atom. In the ninth O site, O(7) is bonded in a bent 150 degrees geometry to one Mo(3) and one Zn(3) atom. In the tenth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mo(2), one Zn(1), and one Zn(3) atom. In the eleventh O site, O(9) is bonded in a linear geometry to one Mo(3) and one Zn(1) atom. In the twelfth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mo(3), one Zn(2), and one Zn(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.958
_cell_length_b   8.346
_cell_length_c   9.680
_cell_angle_alpha   96.657
_cell_angle_beta   107.090
_cell_angle_gamma   101.763
_symmetry_Int_Tables_number   1
_cell_volume   516.641
_cell_formula_units_Z   6
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  0.254  0.695  0.910  1.0
  Zn  Zn1  1  0.746  0.305  0.090  1.0
  Zn  Zn2  1  0.536  0.695  0.487  1.0
  Zn  Zn3  1  0.464  0.305  0.513  1.0
  Zn  Zn4  1  0.969  0.886  0.714  1.0
  Zn  Zn5  1  0.031  0.114  0.286  1.0
  Mo  Mo6  1  0.505  0.988  0.756  1.0
  Mo  Mo7  1  0.495  0.012  0.244  1.0
  Mo  Mo8  1  0.700  0.604  0.840  1.0
  Mo  Mo9  1  0.300  0.396  0.160  1.0
  Mo  Mo10  1  0.979  0.704  0.375  1.0
  Mo  Mo11  1  0.021  0.296  0.625  1.0
  O  O12  1  0.264  0.866  0.763  1.0
  O  O13  1  0.736  0.134  0.237  1.0
  O  O14  1  0.559  0.711  0.924  1.0
  O  O15  1  0.441  0.289  0.076  1.0
  O  O16  1  0.553  0.523  0.650  1.0
  O  O17  1  0.447  0.477  0.350  1.0
  O  O18  1  0.552  0.868  0.355  1.0
  O  O19  1  0.448  0.132  0.645  1.0
  O  O20  1  0.659  0.095  0.929  1.0
  O  O21  1  0.341  0.905  0.071  1.0
  O  O22  1  0.651  0.862  0.683  1.0
  O  O23  1  0.349  0.138  0.317  1.0
  O  O24  1  0.024  0.124  0.716  1.0
  O  O25  1  0.976  0.876  0.284  1.0
  O  O26  1  0.048  0.268  0.141  1.0
  O  O27  1  0.952  0.732  0.859  1.0
  O  O28  1  0.150  0.481  0.753  1.0
  O  O29  1  0.850  0.519  0.247  1.0
  O  O30  1  0.141  0.272  0.484  1.0
  O  O31  1  0.859  0.728  0.516  1.0
  O  O32  1  0.256  0.562  0.073  1.0
  O  O33  1  0.744  0.438  0.927  1.0
  O  O34  1  0.237  0.704  0.461  1.0
  O  O35  1  0.763  0.296  0.539  1.0
[/CIF]
.