The crystal structure described by CuIn(MoO4)2 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra, corners with four equivalent In(1)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with eight equivalent Mo(1)O6 octahedra and edges with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted InO6 octahedra that share corners with eight equivalent Mo(1)O6 octahedra and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mo(1), one Cu(1), and one In(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mo(1), one Cu(1), and one In(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one In(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_InCu(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.607
_cell_length_b   7.607
_cell_length_c   5.052
_cell_angle_alpha   89.294
_cell_angle_beta   89.294
_cell_angle_gamma   100.754
_symmetry_Int_Tables_number   1
_cell_volume   287.115
_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
  In  In0  1  0.845  0.155  0.750  1.0
  In  In1  1  0.155  0.845  0.250  1.0
  Cu  Cu2  1  0.341  0.659  0.750  1.0
  Cu  Cu3  1  0.659  0.341  0.250  1.0
  Mo  Mo4  1  0.168  0.349  0.260  1.0
  Mo  Mo5  1  0.832  0.651  0.740  1.0
  Mo  Mo6  1  0.349  0.168  0.760  1.0
  Mo  Mo7  1  0.651  0.832  0.240  1.0
  O  O8  1  0.941  0.314  0.400  1.0
  O  O9  1  0.432  0.809  0.398  1.0
  O  O10  1  0.094  0.193  0.954  1.0
  O  O11  1  0.314  0.941  0.900  1.0
  O  O12  1  0.686  0.059  0.100  1.0
  O  O13  1  0.191  0.568  0.102  1.0
  O  O14  1  0.411  0.304  0.071  1.0
  O  O15  1  0.809  0.432  0.898  1.0
  O  O16  1  0.906  0.807  0.046  1.0
  O  O17  1  0.304  0.411  0.571  1.0
  O  O18  1  0.696  0.589  0.429  1.0
  O  O19  1  0.589  0.696  0.929  1.0
  O  O20  1  0.568  0.191  0.602  1.0
  O  O21  1  0.193  0.094  0.454  1.0
  O  O22  1  0.807  0.906  0.546  1.0
  O  O23  1  0.059  0.686  0.600  1.0
[/CIF]
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The crystal structure described by CuIn(MoO4)2 crystallizes in the monoclinic C2/c space group. Mo(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with four equivalent Cu(1)O6 octahedra, corners with four equivalent In(1)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-57°. Cu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form distorted CuO6 octahedra that share corners with eight equivalent Mo(1)O6 octahedra and edges with two equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-56°. In(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted InO6 octahedra that share corners with eight equivalent Mo(1)O6 octahedra and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mo(1), one Cu(1), and one In(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mo(1), one Cu(1), and one In(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one In(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Cu(1) atom. is represented by the CIF card [CIF]
data_InCu(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.607
_cell_length_b   7.607
_cell_length_c   5.052
_cell_angle_alpha   89.294
_cell_angle_beta   89.294
_cell_angle_gamma   100.754
_symmetry_Int_Tables_number   1
_cell_volume   287.115
_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
  In  In0  1  0.845  0.155  0.750  1.0
  In  In1  1  0.155  0.845  0.250  1.0
  Cu  Cu2  1  0.341  0.659  0.750  1.0
  Cu  Cu3  1  0.659  0.341  0.250  1.0
  Mo  Mo4  1  0.168  0.349  0.260  1.0
  Mo  Mo5  1  0.832  0.651  0.740  1.0
  Mo  Mo6  1  0.349  0.168  0.760  1.0
  Mo  Mo7  1  0.651  0.832  0.240  1.0
  O  O8  1  0.941  0.314  0.400  1.0
  O  O9  1  0.432  0.809  0.398  1.0
  O  O10  1  0.094  0.193  0.954  1.0
  O  O11  1  0.314  0.941  0.900  1.0
  O  O12  1  0.686  0.059  0.100  1.0
  O  O13  1  0.191  0.568  0.102  1.0
  O  O14  1  0.411  0.304  0.071  1.0
  O  O15  1  0.809  0.432  0.898  1.0
  O  O16  1  0.906  0.807  0.046  1.0
  O  O17  1  0.304  0.411  0.571  1.0
  O  O18  1  0.696  0.589  0.429  1.0
  O  O19  1  0.589  0.696  0.929  1.0
  O  O20  1  0.568  0.191  0.602  1.0
  O  O21  1  0.193  0.094  0.454  1.0
  O  O22  1  0.807  0.906  0.546  1.0
  O  O23  1  0.059  0.686  0.600  1.0
[/CIF]
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