The material structure described by LuCu(MoO4)2 crystallizes in the monoclinic C2/c space group. Lu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LuO6 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 46-57°. Mo(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with four equivalent Lu(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. Cu(1) is bonded to two equivalent O(1), two equivalent O(3), 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 Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Lu(1), one Mo(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Lu(1) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Lu(1), one Mo(1), and one Cu(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_LuCu(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.067
_cell_length_b   7.640
_cell_length_c   7.640
_cell_angle_alpha   100.393
_cell_angle_beta   90.858
_cell_angle_gamma   90.858
_symmetry_Int_Tables_number   1
_cell_volume   290.811
_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
  Lu  Lu0  1  0.750  0.842  0.158  1.0
  Lu  Lu1  1  0.250  0.158  0.842  1.0
  Cu  Cu2  1  0.750  0.339  0.661  1.0
  Cu  Cu3  1  0.250  0.661  0.339  1.0
  Mo  Mo4  1  0.744  0.348  0.172  1.0
  Mo  Mo5  1  0.256  0.652  0.828  1.0
  Mo  Mo6  1  0.756  0.828  0.652  1.0
  Mo  Mo7  1  0.244  0.172  0.348  1.0
  O  O8  1  0.394  0.686  0.055  1.0
  O  O9  1  0.606  0.314  0.945  1.0
  O  O10  1  0.106  0.945  0.314  1.0
  O  O11  1  0.894  0.055  0.686  1.0
  O  O12  1  0.952  0.805  0.907  1.0
  O  O13  1  0.048  0.195  0.093  1.0
  O  O14  1  0.548  0.093  0.195  1.0
  O  O15  1  0.452  0.907  0.805  1.0
  O  O16  1  0.898  0.569  0.196  1.0
  O  O17  1  0.102  0.431  0.804  1.0
  O  O18  1  0.602  0.804  0.431  1.0
  O  O19  1  0.398  0.196  0.569  1.0
  O  O20  1  0.569  0.588  0.697  1.0
  O  O21  1  0.431  0.412  0.303  1.0
  O  O22  1  0.931  0.303  0.412  1.0
  O  O23  1  0.069  0.697  0.588  1.0
[/CIF]
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The material structure described by LuCu(MoO4)2 crystallizes in the monoclinic C2/c space group. Lu(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted LuO6 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 46-57°. Mo(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with four equivalent Lu(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. Cu(1) is bonded to two equivalent O(1), two equivalent O(3), 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 Lu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-55°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Lu(1), one Mo(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Lu(1) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Lu(1), one Mo(1), and one Cu(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_LuCu(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.067
_cell_length_b   7.640
_cell_length_c   7.640
_cell_angle_alpha   100.393
_cell_angle_beta   90.858
_cell_angle_gamma   90.858
_symmetry_Int_Tables_number   1
_cell_volume   290.811
_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
  Lu  Lu0  1  0.750  0.842  0.158  1.0
  Lu  Lu1  1  0.250  0.158  0.842  1.0
  Cu  Cu2  1  0.750  0.339  0.661  1.0
  Cu  Cu3  1  0.250  0.661  0.339  1.0
  Mo  Mo4  1  0.744  0.348  0.172  1.0
  Mo  Mo5  1  0.256  0.652  0.828  1.0
  Mo  Mo6  1  0.756  0.828  0.652  1.0
  Mo  Mo7  1  0.244  0.172  0.348  1.0
  O  O8  1  0.394  0.686  0.055  1.0
  O  O9  1  0.606  0.314  0.945  1.0
  O  O10  1  0.106  0.945  0.314  1.0
  O  O11  1  0.894  0.055  0.686  1.0
  O  O12  1  0.952  0.805  0.907  1.0
  O  O13  1  0.048  0.195  0.093  1.0
  O  O14  1  0.548  0.093  0.195  1.0
  O  O15  1  0.452  0.907  0.805  1.0
  O  O16  1  0.898  0.569  0.196  1.0
  O  O17  1  0.102  0.431  0.804  1.0
  O  O18  1  0.602  0.804  0.431  1.0
  O  O19  1  0.398  0.196  0.569  1.0
  O  O20  1  0.569  0.588  0.697  1.0
  O  O21  1  0.431  0.412  0.303  1.0
  O  O22  1  0.931  0.303  0.412  1.0
  O  O23  1  0.069  0.697  0.588  1.0
[/CIF]
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