The material structure described by Sr3(MoN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form distorted SrN6 octahedra that share corners with two equivalent Sr(1)N6 octahedra, corners with five equivalent Sr(2)N6 octahedra, corners with six equivalent Mo(1)N4 tetrahedra, edges with six equivalent Sr(1)N6 octahedra, edges with three equivalent Mo(1)N4 tetrahedra, and  a faceface with one Sr(2)N6 octahedra. The corner-sharing octahedral tilt angles range from 15-64°. In the second Sr site, Sr(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted SrN6 octahedra that share corners with ten equivalent Sr(1)N6 octahedra, corners with four equivalent Mo(1)N4 tetrahedra, edges with two equivalent Sr(2)N6 octahedra, edges with four equivalent Mo(1)N4 tetrahedra, and faces with two equivalent Sr(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 24-64°. Mo(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form MoN4 tetrahedra that share corners with two equivalent Sr(2)N6 octahedra, corners with six equivalent Sr(1)N6 octahedra, corners with two equivalent Mo(1)N4 tetrahedra, edges with two equivalent Sr(2)N6 octahedra, edges with three equivalent Sr(1)N6 octahedra, and  an edgeedge with one Mo(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-79°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to one Sr(2), four equivalent Sr(1), and two equivalent Mo(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_Sr3(MoN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.381
_cell_length_b   8.885
_cell_length_c   5.739
_cell_angle_alpha   90.000
_cell_angle_beta   91.097
_cell_angle_gamma   127.002
_symmetry_Int_Tables_number   1
_cell_volume   300.479
_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  0.234  0.985  0.028  1.0
  Sr  Sr1  1  0.766  0.751  0.472  1.0
  Sr  Sr2  1  0.766  0.015  0.972  1.0
  Sr  Sr3  1  0.234  0.249  0.528  1.0
  Sr  Sr4  1  0.000  0.602  0.750  1.0
  Sr  Sr5  1  0.000  0.398  0.250  1.0
  Mo  Mo6  1  0.595  0.172  0.587  1.0
  Mo  Mo7  1  0.405  0.577  0.913  1.0
  Mo  Mo8  1  0.405  0.828  0.413  1.0
  Mo  Mo9  1  0.595  0.423  0.087  1.0
  N  N10  1  0.255  0.953  0.514  1.0
  N  N11  1  0.745  0.699  0.986  1.0
  N  N12  1  0.745  0.047  0.486  1.0
  N  N13  1  0.255  0.301  0.014  1.0
  N  N14  1  0.665  0.265  0.913  1.0
  N  N15  1  0.335  0.600  0.587  1.0
  N  N16  1  0.335  0.735  0.087  1.0
  N  N17  1  0.665  0.400  0.413  1.0
[/CIF]
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The material structure described by Sr3(MoN2)2 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent N(2) and four equivalent N(1) atoms to form distorted SrN6 octahedra that share corners with two equivalent Sr(1)N6 octahedra, corners with five equivalent Sr(2)N6 octahedra, corners with six equivalent Mo(1)N4 tetrahedra, edges with six equivalent Sr(1)N6 octahedra, edges with three equivalent Mo(1)N4 tetrahedra, and  a faceface with one Sr(2)N6 octahedra. The corner-sharing octahedral tilt angles range from 15-64°. In the second Sr site, Sr(2) is bonded to two equivalent N(1) and four equivalent N(2) atoms to form distorted SrN6 octahedra that share corners with ten equivalent Sr(1)N6 octahedra, corners with four equivalent Mo(1)N4 tetrahedra, edges with two equivalent Sr(2)N6 octahedra, edges with four equivalent Mo(1)N4 tetrahedra, and faces with two equivalent Sr(1)N6 octahedra. The corner-sharing octahedral tilt angles range from 24-64°. Mo(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form MoN4 tetrahedra that share corners with two equivalent Sr(2)N6 octahedra, corners with six equivalent Sr(1)N6 octahedra, corners with two equivalent Mo(1)N4 tetrahedra, edges with two equivalent Sr(2)N6 octahedra, edges with three equivalent Sr(1)N6 octahedra, and  an edgeedge with one Mo(1)N4 tetrahedra. The corner-sharing octahedral tilt angles range from 20-79°. There are two inequivalent N sites. In the first N site, N(1) is bonded in a 7-coordinate geometry to one Sr(2), four equivalent Sr(1), and two equivalent Mo(1) atoms. In the second N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mo(1) atoms. is represented by the CIF card [CIF]
data_Sr3(MoN2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.381
_cell_length_b   8.885
_cell_length_c   5.739
_cell_angle_alpha   90.000
_cell_angle_beta   91.097
_cell_angle_gamma   127.002
_symmetry_Int_Tables_number   1
_cell_volume   300.479
_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  0.234  0.985  0.028  1.0
  Sr  Sr1  1  0.766  0.751  0.472  1.0
  Sr  Sr2  1  0.766  0.015  0.972  1.0
  Sr  Sr3  1  0.234  0.249  0.528  1.0
  Sr  Sr4  1  0.000  0.602  0.750  1.0
  Sr  Sr5  1  0.000  0.398  0.250  1.0
  Mo  Mo6  1  0.595  0.172  0.587  1.0
  Mo  Mo7  1  0.405  0.577  0.913  1.0
  Mo  Mo8  1  0.405  0.828  0.413  1.0
  Mo  Mo9  1  0.595  0.423  0.087  1.0
  N  N10  1  0.255  0.953  0.514  1.0
  N  N11  1  0.745  0.699  0.986  1.0
  N  N12  1  0.745  0.047  0.486  1.0
  N  N13  1  0.255  0.301  0.014  1.0
  N  N14  1  0.665  0.265  0.913  1.0
  N  N15  1  0.335  0.600  0.587  1.0
  N  N16  1  0.335  0.735  0.087  1.0
  N  N17  1  0.665  0.400  0.413  1.0
[/CIF]
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