The material described by Zn7(MoO4)6 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(2), one O(3), one O(4), and one O(7) atom to form MoO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Zn(3)O6 octahedra, and  a cornercorner with one Zn(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-57°. In the second Mo site, Mo(2) is bonded to one O(1), one O(5), one O(6), and one O(9) atom to form MoO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with two equivalent Zn(3)O6 octahedra, and corners with two equivalent Zn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 31-65°. In the third Mo site, Mo(3) is bonded to one O(10), one O(11), one O(12), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Zn(3)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, and corners with two equivalent Zn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-56°. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(12), one O(5), one O(8), and two equivalent O(2) 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(1)O6 octahedra, and  an edgeedge with one Zn(2)O5 trigonal bipyramid. In the second Zn site, Zn(2) is bonded to one O(1), one O(11), one O(4), one O(8), and one O(9) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one 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(1)O6 octahedra, and  an edgeedge with one Zn(3)O6 octahedra. In the third Zn site, Zn(3) is bonded to one O(10), one O(4), one O(6), one O(9), and two equivalent O(7) atoms to form ZnO6 octahedra that share  a cornercorner with one Mo(3)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra,  an edgeedge with one Zn(3)O6 octahedra, and  an edgeedge with one Zn(2)O5 trigonal bipyramid. In the fourth Zn site, Zn(4) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(6) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mo(2), one Zn(1), and one Zn(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Zn(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Zn(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mo(1), one Zn(2), and one Zn(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(2) and one Zn(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mo(2), one Zn(3), and one Zn(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mo(1) and two equivalent Zn(3) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mo(3), one Zn(1), and one Zn(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mo(2), one Zn(2), and one Zn(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(3) and one Zn(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Mo(3) and one Zn(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mo(3) and one Zn(1) atom. is represented by the CIF file [CIF]
data_Zn7(MoO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.073
_cell_length_b   8.280
_cell_length_c   10.173
_cell_angle_alpha   103.303
_cell_angle_beta   105.624
_cell_angle_gamma   100.917
_symmetry_Int_Tables_number   1
_cell_volume   537.876
_cell_formula_units_Z   1
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  0.044  0.200  0.012  1.0
  Zn  Zn1  1  0.956  0.800  0.988  1.0
  Zn  Zn2  1  0.268  0.278  0.782  1.0
  Zn  Zn3  1  0.732  0.722  0.218  1.0
  Zn  Zn4  1  0.615  0.041  0.394  1.0
  Zn  Zn5  1  0.385  0.959  0.606  1.0
  Zn  Zn6  1  0.000  0.500  0.500  1.0
  Mo  Mo7  1  0.097  0.097  0.336  1.0
  Mo  Mo8  1  0.903  0.903  0.664  1.0
  Mo  Mo9  1  0.229  0.646  0.271  1.0
  Mo  Mo10  1  0.771  0.354  0.729  1.0
  Mo  Mo11  1  0.595  0.279  0.122  1.0
  Mo  Mo12  1  0.405  0.721  0.878  1.0
  O  O13  1  0.017  0.711  0.169  1.0
  O  O14  1  0.983  0.289  0.831  1.0
  O  O15  1  0.060  0.045  0.141  1.0
  O  O16  1  0.940  0.955  0.859  1.0
  O  O17  1  0.110  0.313  0.439  1.0
  O  O18  1  0.890  0.687  0.561  1.0
  O  O19  1  0.146  0.039  0.653  1.0
  O  O20  1  0.854  0.961  0.347  1.0
  O  O21  1  0.188  0.423  0.192  1.0
  O  O22  1  0.812  0.577  0.808  1.0
  O  O23  1  0.224  0.680  0.453  1.0
  O  O24  1  0.776  0.320  0.547  1.0
  O  O25  1  0.331  0.027  0.416  1.0
  O  O26  1  0.669  0.973  0.584  1.0
  O  O27  1  0.356  0.271  0.989  1.0
  O  O28  1  0.644  0.729  0.011  1.0
  O  O29  1  0.528  0.245  0.734  1.0
  O  O30  1  0.472  0.755  0.266  1.0
  O  O31  1  0.554  0.132  0.221  1.0
  O  O32  1  0.446  0.868  0.779  1.0
  O  O33  1  0.717  0.492  0.248  1.0
  O  O34  1  0.283  0.508  0.752  1.0
  O  O35  1  0.766  0.228  0.031  1.0
  O  O36  1  0.234  0.772  0.969  1.0
[/CIF]
.
The material described by Zn7(MoO4)6 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(2), one O(3), one O(4), and one O(7) atom to form MoO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Zn(3)O6 octahedra, and  a cornercorner with one Zn(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 43-57°. In the second Mo site, Mo(2) is bonded to one O(1), one O(5), one O(6), and one O(9) atom to form MoO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra, corners with two equivalent Zn(3)O6 octahedra, and corners with two equivalent Zn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 31-65°. In the third Mo site, Mo(3) is bonded to one O(10), one O(11), one O(12), and one O(8) atom to form MoO4 tetrahedra that share  a cornercorner with one Zn(3)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, and corners with two equivalent Zn(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 24-56°. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(12), one O(5), one O(8), and two equivalent O(2) 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(1)O6 octahedra, and  an edgeedge with one Zn(2)O5 trigonal bipyramid. In the second Zn site, Zn(2) is bonded to one O(1), one O(11), one O(4), one O(8), and one O(9) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one 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(1)O6 octahedra, and  an edgeedge with one Zn(3)O6 octahedra. In the third Zn site, Zn(3) is bonded to one O(10), one O(4), one O(6), one O(9), and two equivalent O(7) atoms to form ZnO6 octahedra that share  a cornercorner with one Mo(3)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, corners with three equivalent Mo(1)O4 tetrahedra,  an edgeedge with one Zn(3)O6 octahedra, and  an edgeedge with one Zn(2)O5 trigonal bipyramid. In the fourth Zn site, Zn(4) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(6) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mo(2), one Zn(1), and one Zn(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mo(1) and two equivalent Zn(1) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Zn(4) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mo(1), one Zn(2), and one Zn(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mo(2) and one Zn(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mo(2), one Zn(3), and one Zn(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Mo(1) and two equivalent Zn(3) atoms. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mo(3), one Zn(1), and one Zn(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mo(2), one Zn(2), and one Zn(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Mo(3) and one Zn(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Mo(3) and one Zn(2) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mo(3) and one Zn(1) atom. is represented by the CIF file [CIF]
data_Zn7(MoO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.073
_cell_length_b   8.280
_cell_length_c   10.173
_cell_angle_alpha   103.303
_cell_angle_beta   105.624
_cell_angle_gamma   100.917
_symmetry_Int_Tables_number   1
_cell_volume   537.876
_cell_formula_units_Z   1
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  0.044  0.200  0.012  1.0
  Zn  Zn1  1  0.956  0.800  0.988  1.0
  Zn  Zn2  1  0.268  0.278  0.782  1.0
  Zn  Zn3  1  0.732  0.722  0.218  1.0
  Zn  Zn4  1  0.615  0.041  0.394  1.0
  Zn  Zn5  1  0.385  0.959  0.606  1.0
  Zn  Zn6  1  0.000  0.500  0.500  1.0
  Mo  Mo7  1  0.097  0.097  0.336  1.0
  Mo  Mo8  1  0.903  0.903  0.664  1.0
  Mo  Mo9  1  0.229  0.646  0.271  1.0
  Mo  Mo10  1  0.771  0.354  0.729  1.0
  Mo  Mo11  1  0.595  0.279  0.122  1.0
  Mo  Mo12  1  0.405  0.721  0.878  1.0
  O  O13  1  0.017  0.711  0.169  1.0
  O  O14  1  0.983  0.289  0.831  1.0
  O  O15  1  0.060  0.045  0.141  1.0
  O  O16  1  0.940  0.955  0.859  1.0
  O  O17  1  0.110  0.313  0.439  1.0
  O  O18  1  0.890  0.687  0.561  1.0
  O  O19  1  0.146  0.039  0.653  1.0
  O  O20  1  0.854  0.961  0.347  1.0
  O  O21  1  0.188  0.423  0.192  1.0
  O  O22  1  0.812  0.577  0.808  1.0
  O  O23  1  0.224  0.680  0.453  1.0
  O  O24  1  0.776  0.320  0.547  1.0
  O  O25  1  0.331  0.027  0.416  1.0
  O  O26  1  0.669  0.973  0.584  1.0
  O  O27  1  0.356  0.271  0.989  1.0
  O  O28  1  0.644  0.729  0.011  1.0
  O  O29  1  0.528  0.245  0.734  1.0
  O  O30  1  0.472  0.755  0.266  1.0
  O  O31  1  0.554  0.132  0.221  1.0
  O  O32  1  0.446  0.868  0.779  1.0
  O  O33  1  0.717  0.492  0.248  1.0
  O  O34  1  0.283  0.508  0.752  1.0
  O  O35  1  0.766  0.228  0.031  1.0
  O  O36  1  0.234  0.772  0.969  1.0
[/CIF]
.