The material structure described by MgMo2HO6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(5), and two equivalent O(6) atoms. 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 a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 7-20°. 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 a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 21-29°. H(1) is bonded in a single-bond geometry to one O(6) 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 distorted 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 trigonal planar geometry to two equivalent Mg(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Mg(1), one Mo(2), and one H(1) atom. is represented by the CIF card [CIF]
data_MgMo2HO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.996
_cell_length_b   7.996
_cell_length_c   4.016
_cell_angle_alpha   89.057
_cell_angle_beta   89.057
_cell_angle_gamma   28.124
_symmetry_Int_Tables_number   1
_cell_volume   121.012
_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  0.254  0.254  0.700  1.0
  Mo  Mo1  1  0.080  0.080  0.234  1.0
  Mo  Mo2  1  0.917  0.917  0.755  1.0
  H  H3  1  0.753  0.753  0.031  1.0
  O  O4  1  0.941  0.941  0.236  1.0
  O  O5  1  0.057  0.057  0.729  1.0
  O  O6  1  0.573  0.573  0.220  1.0
  O  O7  1  0.388  0.388  0.700  1.0
  O  O8  1  0.205  0.205  0.230  1.0
  O  O9  1  0.774  0.774  0.798  1.0
[/CIF]
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The material structure described by MgMo2HO6 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(5), and two equivalent O(6) atoms. 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 a mixture of corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 7-20°. 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 a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 21-29°. H(1) is bonded in a single-bond geometry to one O(6) 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 distorted 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 trigonal planar geometry to two equivalent Mg(1) and one Mo(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Mg(1), one Mo(2), and one H(1) atom. is represented by the CIF card [CIF]
data_MgMo2HO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.996
_cell_length_b   7.996
_cell_length_c   4.016
_cell_angle_alpha   89.057
_cell_angle_beta   89.057
_cell_angle_gamma   28.124
_symmetry_Int_Tables_number   1
_cell_volume   121.012
_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  0.254  0.254  0.700  1.0
  Mo  Mo1  1  0.080  0.080  0.234  1.0
  Mo  Mo2  1  0.917  0.917  0.755  1.0
  H  H3  1  0.753  0.753  0.031  1.0
  O  O4  1  0.941  0.941  0.236  1.0
  O  O5  1  0.057  0.057  0.729  1.0
  O  O6  1  0.573  0.573  0.220  1.0
  O  O7  1  0.388  0.388  0.700  1.0
  O  O8  1  0.205  0.205  0.230  1.0
  O  O9  1  0.774  0.774  0.798  1.0
[/CIF]
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