The crystal structure described by MgMo2HO6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted MgO5 trigonal bipyramids that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles are 70°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. In the second Mo site, Mo(2) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with four equivalent Mo(2)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 12-23°. H(1) is bonded in a single-bond geometry to one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mo(1) and two equivalent Mo(2) atoms. In the second O site, O(2) is bonded in a T-shaped geometry to one Mo(2) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Mo(2) atoms. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Mg(1), one Mo(1), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one Mo(2) atom. is represented by the CIF file [CIF]
data_MgMo2HO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.142
_cell_length_b   8.017
_cell_length_c   4.088
_cell_angle_alpha   90.220
_cell_angle_beta   90.205
_cell_angle_gamma   27.640
_symmetry_Int_Tables_number   1
_cell_volume   123.788
_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  0.315  0.217  0.785  1.0
  Mo  Mo1  1  0.083  0.072  0.276  1.0
  Mo  Mo2  1  0.945  0.898  0.774  1.0
  H  H3  1  0.968  0.499  0.285  1.0
  O  O4  1  0.969  0.929  0.272  1.0
  O  O5  1  0.063  0.047  0.773  1.0
  O  O6  1  0.594  0.592  0.269  1.0
  O  O7  1  0.434  0.383  0.769  1.0
  O  O8  1  0.201  0.234  0.282  1.0
  O  O9  1  0.834  0.752  0.780  1.0
[/CIF]
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The crystal structure described by MgMo2HO6 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(4), two equivalent O(5), and two equivalent O(6) atoms to form distorted MgO5 trigonal bipyramids that share corners with two equivalent Mo(1)O6 octahedra, corners with four equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles are 70°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with two equivalent Mg(1)O5 trigonal bipyramids, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-20°. In the second Mo site, Mo(2) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with four equivalent Mo(2)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mg(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 12-23°. H(1) is bonded in a single-bond geometry to one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mo(1) and two equivalent Mo(2) atoms. In the second O site, O(2) is bonded in a T-shaped geometry to one Mo(2) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a linear geometry to two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a T-shaped geometry to one Mg(1) and two equivalent Mo(2) atoms. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Mg(1), one Mo(1), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one Mo(2) atom. is represented by the CIF file [CIF]
data_MgMo2HO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.142
_cell_length_b   8.017
_cell_length_c   4.088
_cell_angle_alpha   90.220
_cell_angle_beta   90.205
_cell_angle_gamma   27.640
_symmetry_Int_Tables_number   1
_cell_volume   123.788
_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  0.315  0.217  0.785  1.0
  Mo  Mo1  1  0.083  0.072  0.276  1.0
  Mo  Mo2  1  0.945  0.898  0.774  1.0
  H  H3  1  0.968  0.499  0.285  1.0
  O  O4  1  0.969  0.929  0.272  1.0
  O  O5  1  0.063  0.047  0.773  1.0
  O  O6  1  0.594  0.592  0.269  1.0
  O  O7  1  0.434  0.383  0.769  1.0
  O  O8  1  0.201  0.234  0.282  1.0
  O  O9  1  0.834  0.752  0.780  1.0
[/CIF]
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