The compound described by Sr2MgMoMnO6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share faces with two equivalent Mo(1)O6 octahedra. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share faces with two equivalent Mg(1)O6 octahedra. Mn(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Mg(1), one Mo(1), and one Mn(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), one Mg(1), one Mo(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OSr2MgMnMo trigonal bipyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mg(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Sr2MgMnMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.062
_cell_length_b   6.772
_cell_length_c   5.726
_cell_angle_alpha   114.883
_cell_angle_beta   113.208
_cell_angle_gamma   108.360
_symmetry_Int_Tables_number   1
_cell_volume   160.093
_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
  Sr  Sr0  1  0.740  0.321  0.551  1.0
  Sr  Sr1  1  0.260  0.679  0.449  1.0
  Mg  Mg2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  Mo  Mo4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.168  0.306  0.483  1.0
  O  O6  1  0.832  0.694  0.517  1.0
  O  O7  1  0.115  0.292  0.937  1.0
  O  O8  1  0.885  0.708  0.063  1.0
  O  O9  1  0.470  0.157  0.805  1.0
  O  O10  1  0.530  0.843  0.195  1.0
[/CIF]
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The compound described by Sr2MgMoMnO6 crystallizes in the triclinic P-1 space group. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share faces with two equivalent Mo(1)O6 octahedra. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share faces with two equivalent Mg(1)O6 octahedra. Mn(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Sr(1), one Mg(1), one Mo(1), and one Mn(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), one Mg(1), one Mo(1), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OSr2MgMnMo trigonal bipyramids. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1), one Mg(1), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Sr2MgMnMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.062
_cell_length_b   6.772
_cell_length_c   5.726
_cell_angle_alpha   114.883
_cell_angle_beta   113.208
_cell_angle_gamma   108.360
_symmetry_Int_Tables_number   1
_cell_volume   160.093
_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
  Sr  Sr0  1  0.740  0.321  0.551  1.0
  Sr  Sr1  1  0.260  0.679  0.449  1.0
  Mg  Mg2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  Mo  Mo4  1  0.500  0.500  0.000  1.0
  O  O5  1  0.168  0.306  0.483  1.0
  O  O6  1  0.832  0.694  0.517  1.0
  O  O7  1  0.115  0.292  0.937  1.0
  O  O8  1  0.885  0.708  0.063  1.0
  O  O9  1  0.470  0.157  0.805  1.0
  O  O10  1  0.530  0.843  0.195  1.0
[/CIF]
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