The material described by Mg(MoO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted MgO4 trigonal pyramids that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra,  a cornercorner with one Mo(4)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra, and  an edgeedge with one Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-63°. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form distorted MoO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(4)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 46-50°. In the second Mo site, Mo(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form distorted MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid, edges with two equivalent Mo(2)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 47-49°. In the third Mo site, Mo(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid, edges with two equivalent Mo(2)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 44-51°. In the fourth Mo site, Mo(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(4)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 44-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mo(3), and two equivalent Mo(4) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mo(1), and two equivalent Mo(3) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Mo(4), and two equivalent Mo(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Mo(2), and two equivalent Mo(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mo(4) and two equivalent Mo(1) atoms. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Mo(3) and two equivalent Mo(2) atoms. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Mo(1) and two equivalent Mo(4) atoms. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Mo(2) and two equivalent Mo(3) atoms. is represented by the CIF file [CIF]
data_Mg(MoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.277
_cell_length_b   8.200
_cell_length_c   8.199
_cell_angle_alpha   87.202
_cell_angle_beta   77.597
_cell_angle_gamma   77.394
_symmetry_Int_Tables_number   1
_cell_volume   209.991
_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
  Mg  Mg0  1  0.762  0.498  0.498  1.0
  Mo  Mo1  1  0.621  0.168  0.521  1.0
  Mo  Mo2  1  0.205  0.482  0.168  1.0
  Mo  Mo3  1  0.858  0.519  0.827  1.0
  Mo  Mo4  1  0.314  0.828  0.485  1.0
  O  O5  1  0.835  0.686  0.616  1.0
  O  O6  1  0.462  0.388  0.692  1.0
  O  O7  1  0.549  0.606  0.310  1.0
  O  O8  1  0.155  0.299  0.394  1.0
  O  O9  1  0.108  0.057  0.631  1.0
  O  O10  1  0.836  0.379  0.033  1.0
  O  O11  1  0.795  0.963  0.382  1.0
  O  O12  1  0.251  0.627  0.941  1.0
[/CIF]
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The material described by Mg(MoO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted MgO4 trigonal pyramids that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra,  a cornercorner with one Mo(4)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra, and  an edgeedge with one Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-63°. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(7), two equivalent O(4), and two equivalent O(5) atoms to form distorted MoO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(4)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 46-50°. In the second Mo site, Mo(2) is bonded to one O(4), one O(8), two equivalent O(3), and two equivalent O(6) atoms to form distorted MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid, edges with two equivalent Mo(2)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 47-49°. In the third Mo site, Mo(3) is bonded to one O(1), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid, edges with two equivalent Mo(2)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 44-51°. In the fourth Mo site, Mo(4) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra,  a cornercorner with one Mg(1)O4 trigonal pyramid, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(4)O6 octahedra, and  an edgeedge with one Mg(1)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 44-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mo(3), and two equivalent Mo(4) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mo(1), and two equivalent Mo(3) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), one Mo(4), and two equivalent Mo(2) atoms. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Mo(2), and two equivalent Mo(1) atoms. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Mo(4) and two equivalent Mo(1) atoms. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Mo(3) and two equivalent Mo(2) atoms. In the seventh O site, O(7) is bonded in a trigonal non-coplanar geometry to one Mo(1) and two equivalent Mo(4) atoms. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Mo(2) and two equivalent Mo(3) atoms. is represented by the CIF file [CIF]
data_Mg(MoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.277
_cell_length_b   8.200
_cell_length_c   8.199
_cell_angle_alpha   87.202
_cell_angle_beta   77.597
_cell_angle_gamma   77.394
_symmetry_Int_Tables_number   1
_cell_volume   209.991
_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
  Mg  Mg0  1  0.762  0.498  0.498  1.0
  Mo  Mo1  1  0.621  0.168  0.521  1.0
  Mo  Mo2  1  0.205  0.482  0.168  1.0
  Mo  Mo3  1  0.858  0.519  0.827  1.0
  Mo  Mo4  1  0.314  0.828  0.485  1.0
  O  O5  1  0.835  0.686  0.616  1.0
  O  O6  1  0.462  0.388  0.692  1.0
  O  O7  1  0.549  0.606  0.310  1.0
  O  O8  1  0.155  0.299  0.394  1.0
  O  O9  1  0.108  0.057  0.631  1.0
  O  O10  1  0.836  0.379  0.033  1.0
  O  O11  1  0.795  0.963  0.382  1.0
  O  O12  1  0.251  0.627  0.941  1.0
[/CIF]
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