The structure described by Sr2MnMoO6 crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to one O(10), one O(3), one O(4), one O(5), one O(6), one O(9), two equivalent O(1), two equivalent O(12), and two equivalent O(8) atoms. In the second Sr site, Sr(2) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), one O(9), two equivalent O(11), two equivalent O(2), and two equivalent O(7) atoms to form distorted SrO12 cuboctahedra that share corners with six equivalent Sr(2)O12 cuboctahedra,  a faceface with one Mo(2)O6 octahedra,  a faceface with one Mn(2)O6 octahedra, faces with three equivalent Mo(1)O6 octahedra, and faces with three equivalent Mn(1)O6 octahedra. In the third Sr site, Sr(3) is bonded in a 11-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(7), two equivalent O(3), two equivalent O(5), and two equivalent O(9) atoms. In the fourth Sr site, Sr(4) is bonded in a 12-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(7), one O(8), two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(11), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form MoO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-25°. In the second Mo site, Mo(2) is bonded to one O(1), one O(10), one O(12), one O(4), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and  a faceface with one Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-28°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-19°. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra, and  a faceface with one Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-28°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Sr(3), one Sr(4), two equivalent Sr(1), one Mo(2), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to one Sr(3), one Sr(4), two equivalent Sr(2), one Mo(1), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Mo(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(2), two equivalent Sr(4), one Mo(2), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), one Mo(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(4), one Mo(2), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Sr(3), one Sr(4), two equivalent Sr(2), one Mo(1), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(4), two equivalent Sr(1), one Mo(2), and one Mn(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), one Mo(1), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(4), one Mo(2), and one Mn(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), two equivalent Sr(2), one Mo(1), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), two equivalent Sr(1), one Mo(2), and one Mn(2) atom. is represented by the CIF file [CIF]
data_Sr2MnMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.597
_cell_length_b   5.699
_cell_length_c   9.829
_cell_angle_alpha   89.216
_cell_angle_beta   73.244
_cell_angle_gamma   60.703
_symmetry_Int_Tables_number   1
_cell_volume   258.755
_cell_formula_units_Z   2
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  0.254  0.382  0.123  1.0
  Sr  Sr1  1  0.248  0.867  0.625  1.0
  Sr  Sr2  1  0.752  0.624  0.862  1.0
  Sr  Sr3  1  0.744  0.130  0.386  1.0
  Mn  Mn4  1  0.999  0.500  0.500  1.0
  Mn  Mn5  1  0.999  0.000  1.000  1.0
  Mo  Mo6  1  0.497  0.246  0.749  1.0
  Mo  Mo7  1  0.503  0.754  0.252  1.0
  O  O8  1  0.744  0.400  0.135  1.0
  O  O9  1  0.746  0.868  0.622  1.0
  O  O10  1  0.266  0.612  0.871  1.0
  O  O11  1  0.254  0.115  0.375  1.0
  O  O12  1  0.204  0.160  0.841  1.0
  O  O13  1  0.223  0.647  0.354  1.0
  O  O14  1  0.778  0.345  0.638  1.0
  O  O15  1  0.790  0.853  0.167  1.0
  O  O16  1  0.691  0.100  0.894  1.0
  O  O17  1  0.713  0.603  0.397  1.0
  O  O18  1  0.275  0.399  0.598  1.0
  O  O19  1  0.319  0.894  0.110  1.0
[/CIF]
.
The structure described by Sr2MnMoO6 crystallizes in the triclinic P1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 12-coordinate geometry to one O(10), one O(3), one O(4), one O(5), one O(6), one O(9), two equivalent O(1), two equivalent O(12), and two equivalent O(8) atoms. In the second Sr site, Sr(2) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), one O(9), two equivalent O(11), two equivalent O(2), and two equivalent O(7) atoms to form distorted SrO12 cuboctahedra that share corners with six equivalent Sr(2)O12 cuboctahedra,  a faceface with one Mo(2)O6 octahedra,  a faceface with one Mn(2)O6 octahedra, faces with three equivalent Mo(1)O6 octahedra, and faces with three equivalent Mn(1)O6 octahedra. In the third Sr site, Sr(3) is bonded in a 11-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(7), two equivalent O(3), two equivalent O(5), and two equivalent O(9) atoms. In the fourth Sr site, Sr(4) is bonded in a 12-coordinate geometry to one O(1), one O(11), one O(12), one O(2), one O(7), one O(8), two equivalent O(10), two equivalent O(4), and two equivalent O(6) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(11), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form MoO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-25°. In the second Mo site, Mo(2) is bonded to one O(1), one O(10), one O(12), one O(4), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra, and  a faceface with one Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-28°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(11), one O(2), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-19°. In the second Mn site, Mn(2) is bonded to one O(1), one O(12), one O(3), one O(5), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra, and  a faceface with one Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 3-28°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Sr(3), one Sr(4), two equivalent Sr(1), one Mo(2), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to one Sr(3), one Sr(4), two equivalent Sr(2), one Mo(1), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), two equivalent Sr(3), one Mo(1), and one Mn(2) atom to form a mixture of distorted edge and corner-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(2), two equivalent Sr(4), one Mo(2), and one Mn(1) atom to form a mixture of distorted edge and corner-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), one Mo(1), and one Mn(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(4), one Mo(2), and one Mn(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Sr(3), one Sr(4), two equivalent Sr(2), one Mo(1), and one Mn(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Sr(4), two equivalent Sr(1), one Mo(2), and one Mn(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(3), one Mo(1), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), two equivalent Sr(4), one Mo(2), and one Mn(1) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), two equivalent Sr(2), one Mo(1), and one Mn(1) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Sr(3), one Sr(4), two equivalent Sr(1), one Mo(2), and one Mn(2) atom. is represented by the CIF file [CIF]
data_Sr2MnMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.597
_cell_length_b   5.699
_cell_length_c   9.829
_cell_angle_alpha   89.216
_cell_angle_beta   73.244
_cell_angle_gamma   60.703
_symmetry_Int_Tables_number   1
_cell_volume   258.755
_cell_formula_units_Z   2
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  0.254  0.382  0.123  1.0
  Sr  Sr1  1  0.248  0.867  0.625  1.0
  Sr  Sr2  1  0.752  0.624  0.862  1.0
  Sr  Sr3  1  0.744  0.130  0.386  1.0
  Mn  Mn4  1  0.999  0.500  0.500  1.0
  Mn  Mn5  1  0.999  0.000  1.000  1.0
  Mo  Mo6  1  0.497  0.246  0.749  1.0
  Mo  Mo7  1  0.503  0.754  0.252  1.0
  O  O8  1  0.744  0.400  0.135  1.0
  O  O9  1  0.746  0.868  0.622  1.0
  O  O10  1  0.266  0.612  0.871  1.0
  O  O11  1  0.254  0.115  0.375  1.0
  O  O12  1  0.204  0.160  0.841  1.0
  O  O13  1  0.223  0.647  0.354  1.0
  O  O14  1  0.778  0.345  0.638  1.0
  O  O15  1  0.790  0.853  0.167  1.0
  O  O16  1  0.691  0.100  0.894  1.0
  O  O17  1  0.713  0.603  0.397  1.0
  O  O18  1  0.275  0.399  0.598  1.0
  O  O19  1  0.319  0.894  0.110  1.0
[/CIF]
.