The material structure described by Sr2MnMoO6 crystallizes in the triclinic P-1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra,  a faceface with one Mo(1)O6 octahedra,  a faceface with one Mo(2)O6 octahedra,  a faceface with one Mo(3)O6 octahedra,  a faceface with one Mo(4)O6 octahedra,  a faceface with one Mn(1)O6 octahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra, and  a faceface with one Mn(4)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra,  a faceface with one Mo(1)O6 octahedra,  a faceface with one Mo(2)O6 octahedra,  a faceface with one Mo(3)O6 octahedra,  a faceface with one Mo(4)O6 octahedra,  a faceface with one Mn(1)O6 octahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra, and  a faceface with one Mn(4)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra,  a faceface with one Mo(1)O6 octahedra,  a faceface with one Mo(2)O6 octahedra,  a faceface with one Mo(3)O6 octahedra,  a faceface with one Mo(4)O6 octahedra,  a faceface with one Mn(1)O6 octahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra, and  a faceface with one Mn(4)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra,  a faceface with one Mo(1)O6 octahedra,  a faceface with one Mo(2)O6 octahedra,  a faceface with one Mo(3)O6 octahedra,  a faceface with one Mo(4)O6 octahedra,  a faceface with one Mn(1)O6 octahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra, and  a faceface with one Mn(4)O6 octahedra. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(11), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-16°. In the second Mo site, Mo(2) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms to form MoO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-16°. In the third Mo site, Mo(3) is bonded to two equivalent O(12), two equivalent O(3), and two equivalent O(9) atoms to form MoO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-16°. In the fourth Mo site, Mo(4) is bonded to two equivalent O(10), two equivalent O(2), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-16°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(12), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-16°. In the second Mn site, Mn(2) is bonded to two equivalent O(6), two equivalent O(7), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-16°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-16°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-16°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(1), and one Mn(3) atom. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(4), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(2), and one Mn(1) atom. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(2), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(4), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(2), and one Mn(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(3), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(4), and one Mn(4) atom. In the eleventh O site, O(11) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(1), and one Mn(4) atom to form a mixture of distorted corner and edge-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the twelfth O site, O(12) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(3), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF card [CIF]
data_Sr2MnMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.435
_cell_length_b   5.435
_cell_length_c   5.632
_cell_angle_alpha   118.851
_cell_angle_beta   118.830
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   121.657
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.500  0.500  1.000  1.0
  O  O2  1  0.214  0.283  0.999  1.0
  O  O3  1  0.735  0.735  0.472  1.0
  O  O4  1  0.786  0.717  0.001  1.0
  O  O5  1  0.716  0.214  0.999  1.0
  O  O6  1  0.284  0.786  0.001  1.0
  O  O7  1  0.265  0.265  0.528  1.0
  Sr  Sr8  1  0.250  0.750  0.500  1.0
  Sr  Sr9  1  0.750  0.250  0.500  1.0
[/CIF]
.
The material structure described by Sr2MnMoO6 crystallizes in the triclinic P-1 space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra,  a faceface with one Mo(1)O6 octahedra,  a faceface with one Mo(2)O6 octahedra,  a faceface with one Mo(3)O6 octahedra,  a faceface with one Mo(4)O6 octahedra,  a faceface with one Mn(1)O6 octahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra, and  a faceface with one Mn(4)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra,  a faceface with one Mo(1)O6 octahedra,  a faceface with one Mo(2)O6 octahedra,  a faceface with one Mo(3)O6 octahedra,  a faceface with one Mo(4)O6 octahedra,  a faceface with one Mn(1)O6 octahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra, and  a faceface with one Mn(4)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra,  a faceface with one Mo(1)O6 octahedra,  a faceface with one Mo(2)O6 octahedra,  a faceface with one Mo(3)O6 octahedra,  a faceface with one Mo(4)O6 octahedra,  a faceface with one Mn(1)O6 octahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra, and  a faceface with one Mn(4)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to one O(1), one O(10), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom to form distorted SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra,  a faceface with one Mo(1)O6 octahedra,  a faceface with one Mo(2)O6 octahedra,  a faceface with one Mo(3)O6 octahedra,  a faceface with one Mo(4)O6 octahedra,  a faceface with one Mn(1)O6 octahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra, and  a faceface with one Mn(4)O6 octahedra. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(1), two equivalent O(11), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-16°. In the second Mo site, Mo(2) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(8) atoms to form MoO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-16°. In the third Mo site, Mo(3) is bonded to two equivalent O(12), two equivalent O(3), and two equivalent O(9) atoms to form MoO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-16°. In the fourth Mo site, Mo(4) is bonded to two equivalent O(10), two equivalent O(2), and two equivalent O(7) atoms to form MoO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-16°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(12), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 2-16°. In the second Mn site, Mn(2) is bonded to two equivalent O(6), two equivalent O(7), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-16°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-16°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(10), two equivalent O(11), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, corners with two equivalent Mo(4)O6 octahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Sr(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 1-16°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(1), and one Mn(3) atom. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(4), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(3), and one Mn(4) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(2), and one Mn(1) atom. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(2), and one Mn(2) atom to form a mixture of distorted corner and edge-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(4), and one Mn(2) atom. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(2), and one Mn(3) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(3), and one Mn(2) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(4), and one Mn(4) atom. In the eleventh O site, O(11) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(1), and one Mn(4) atom to form a mixture of distorted corner and edge-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the twelfth O site, O(12) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mo(3), and one Mn(1) atom to form a mixture of distorted corner and edge-sharing OSr4MnMo octahedra. The corner-sharing octahedral tilt angles range from 0-5°. is represented by the CIF card [CIF]
data_Sr2MnMoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.435
_cell_length_b   5.435
_cell_length_c   5.632
_cell_angle_alpha   118.851
_cell_angle_beta   118.830
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   121.657
_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
  Mn  Mn0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.500  0.500  1.000  1.0
  O  O2  1  0.214  0.283  0.999  1.0
  O  O3  1  0.735  0.735  0.472  1.0
  O  O4  1  0.786  0.717  0.001  1.0
  O  O5  1  0.716  0.214  0.999  1.0
  O  O6  1  0.284  0.786  0.001  1.0
  O  O7  1  0.265  0.265  0.528  1.0
  Sr  Sr8  1  0.250  0.750  0.500  1.0
  Sr  Sr9  1  0.750  0.250  0.500  1.0
[/CIF]
.