The crystal structure described by Sr2MnMoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the tetragonal P4_2/n space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. In the third Sr site, Sr(3) is bonded in a 4-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. 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 corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-23°. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-23°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Mo(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), one Mo(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Mo(1), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2MnMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.096
_cell_length_b   8.096
_cell_length_c   8.162
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   535.019
_cell_formula_units_Z   4
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  0.000  0.000  0.000  1.0
  Sr  Sr1  1  0.500  0.000  0.013  1.0
  Sr  Sr2  1  0.000  0.500  0.487  1.0
  Sr  Sr3  1  0.500  0.500  0.000  1.0
  Sr  Sr4  1  0.000  0.000  0.500  1.0
  Sr  Sr5  1  0.000  0.500  0.987  1.0
  Sr  Sr6  1  0.500  0.500  0.500  1.0
  Sr  Sr7  1  0.500  0.000  0.513  1.0
  Mn  Mn8  1  0.250  0.750  0.250  1.0
  Mn  Mn9  1  0.750  0.750  0.750  1.0
  Mn  Mn10  1  0.750  0.250  0.250  1.0
  Mn  Mn11  1  0.250  0.250  0.750  1.0
  Mo  Mo12  1  0.250  0.250  0.250  1.0
  Mo  Mo13  1  0.750  0.750  0.250  1.0
  Mo  Mo14  1  0.250  0.750  0.750  1.0
  Mo  Mo15  1  0.750  0.250  0.750  1.0
  O  O16  1  0.486  0.293  0.228  1.0
  O  O17  1  0.728  0.270  0.513  1.0
  O  O18  1  0.014  0.207  0.272  1.0
  O  O19  1  0.293  0.514  0.772  1.0
  O  O20  1  0.204  0.486  0.232  1.0
  O  O21  1  0.514  0.707  0.228  1.0
  O  O22  1  0.770  0.772  0.013  1.0
  O  O23  1  0.793  0.014  0.728  1.0
  O  O24  1  0.296  0.014  0.268  1.0
  O  O25  1  0.772  0.230  0.987  1.0
  O  O26  1  0.796  0.514  0.232  1.0
  O  O27  1  0.986  0.793  0.272  1.0
  O  O28  1  0.014  0.704  0.732  1.0
  O  O29  1  0.514  0.204  0.768  1.0
  O  O30  1  0.230  0.228  0.013  1.0
  O  O31  1  0.730  0.728  0.487  1.0
  O  O32  1  0.704  0.986  0.268  1.0
  O  O33  1  0.486  0.796  0.768  1.0
  O  O34  1  0.707  0.486  0.772  1.0
  O  O35  1  0.986  0.296  0.732  1.0
  O  O36  1  0.272  0.730  0.513  1.0
  O  O37  1  0.207  0.986  0.728  1.0
  O  O38  1  0.228  0.770  0.987  1.0
  O  O39  1  0.270  0.272  0.487  1.0
[/CIF]
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The crystal structure described by Sr2MnMoO6 is Orthorhombic Perovskite-derived structured and crystallizes in the tetragonal P4_2/n space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 10-coordinate geometry to two equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. In the third Sr site, Sr(3) is bonded in a 4-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. 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 corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-23°. Mn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 13-23°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Mo(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Sr(1), one Sr(3), two equivalent Sr(2), one Mo(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(2), one Mo(1), and one Mn(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2MnMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.096
_cell_length_b   8.096
_cell_length_c   8.162
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   535.019
_cell_formula_units_Z   4
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  0.000  0.000  0.000  1.0
  Sr  Sr1  1  0.500  0.000  0.013  1.0
  Sr  Sr2  1  0.000  0.500  0.487  1.0
  Sr  Sr3  1  0.500  0.500  0.000  1.0
  Sr  Sr4  1  0.000  0.000  0.500  1.0
  Sr  Sr5  1  0.000  0.500  0.987  1.0
  Sr  Sr6  1  0.500  0.500  0.500  1.0
  Sr  Sr7  1  0.500  0.000  0.513  1.0
  Mn  Mn8  1  0.250  0.750  0.250  1.0
  Mn  Mn9  1  0.750  0.750  0.750  1.0
  Mn  Mn10  1  0.750  0.250  0.250  1.0
  Mn  Mn11  1  0.250  0.250  0.750  1.0
  Mo  Mo12  1  0.250  0.250  0.250  1.0
  Mo  Mo13  1  0.750  0.750  0.250  1.0
  Mo  Mo14  1  0.250  0.750  0.750  1.0
  Mo  Mo15  1  0.750  0.250  0.750  1.0
  O  O16  1  0.486  0.293  0.228  1.0
  O  O17  1  0.728  0.270  0.513  1.0
  O  O18  1  0.014  0.207  0.272  1.0
  O  O19  1  0.293  0.514  0.772  1.0
  O  O20  1  0.204  0.486  0.232  1.0
  O  O21  1  0.514  0.707  0.228  1.0
  O  O22  1  0.770  0.772  0.013  1.0
  O  O23  1  0.793  0.014  0.728  1.0
  O  O24  1  0.296  0.014  0.268  1.0
  O  O25  1  0.772  0.230  0.987  1.0
  O  O26  1  0.796  0.514  0.232  1.0
  O  O27  1  0.986  0.793  0.272  1.0
  O  O28  1  0.014  0.704  0.732  1.0
  O  O29  1  0.514  0.204  0.768  1.0
  O  O30  1  0.230  0.228  0.013  1.0
  O  O31  1  0.730  0.728  0.487  1.0
  O  O32  1  0.704  0.986  0.268  1.0
  O  O33  1  0.486  0.796  0.768  1.0
  O  O34  1  0.707  0.486  0.772  1.0
  O  O35  1  0.986  0.296  0.732  1.0
  O  O36  1  0.272  0.730  0.513  1.0
  O  O37  1  0.207  0.986  0.728  1.0
  O  O38  1  0.228  0.770  0.987  1.0
  O  O39  1  0.270  0.272  0.487  1.0
[/CIF]
.