The material described by Sr2MoN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one N(1), one N(4), two equivalent N(3), and three equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms. Mo(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing MoN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(4) is bonded in a distorted octahedral geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mo(1) atoms. In the second N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mo(1) atoms. In the third N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(2), three equivalent Sr(1), and one Mo(1) atom. In the fourth N site, N(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Sr2MoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.344
_cell_length_b   11.235
_cell_length_c   12.529
_cell_angle_alpha   90.000
_cell_angle_beta   90.921
_cell_angle_gamma   152.312
_symmetry_Int_Tables_number   1
_cell_volume   414.701
_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  0.466  0.035  0.856  1.0
  Sr  Sr1  1  0.534  0.569  0.644  1.0
  Sr  Sr2  1  0.534  0.965  0.144  1.0
  Sr  Sr3  1  0.466  0.431  0.356  1.0
  Sr  Sr4  1  0.546  0.885  0.582  1.0
  Sr  Sr5  1  0.454  0.339  0.918  1.0
  Sr  Sr6  1  0.454  0.115  0.418  1.0
  Sr  Sr7  1  0.546  0.661  0.082  1.0
  Mo  Mo8  1  0.533  0.267  0.661  1.0
  Mo  Mo9  1  0.467  0.734  0.839  1.0
  Mo  Mo10  1  0.467  0.733  0.339  1.0
  Mo  Mo11  1  0.533  0.266  0.161  1.0
  N  N12  1  0.000  0.588  0.750  1.0
  N  N13  1  0.000  0.412  0.250  1.0
  N  N14  1  0.627  0.153  0.630  1.0
  N  N15  1  0.373  0.526  0.870  1.0
  N  N16  1  0.373  0.847  0.370  1.0
  N  N17  1  0.627  0.474  0.130  1.0
  N  N18  1  0.432  0.121  0.040  1.0
  N  N19  1  0.568  0.689  0.460  1.0
  N  N20  1  0.568  0.879  0.960  1.0
  N  N21  1  0.432  0.311  0.540  1.0
  N  N22  1  0.000  0.006  0.750  1.0
  N  N23  1  0.000  0.994  0.250  1.0
[/CIF]
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The material described by Sr2MoN3 crystallizes in the monoclinic C2/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one N(1), one N(4), two equivalent N(3), and three equivalent N(2) atoms. In the second Sr site, Sr(2) is bonded in a 6-coordinate geometry to one N(1), one N(4), two equivalent N(2), and two equivalent N(3) atoms. Mo(1) is bonded to one N(1), one N(2), one N(3), and one N(4) atom to form corner-sharing MoN4 tetrahedra. There are four inequivalent N sites. In the first N site, N(4) is bonded in a distorted octahedral geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mo(1) atoms. In the second N site, N(1) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mo(1) atoms. In the third N site, N(2) is bonded in a 6-coordinate geometry to two equivalent Sr(2), three equivalent Sr(1), and one Mo(1) atom. In the fourth N site, N(3) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Sr2MoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.344
_cell_length_b   11.235
_cell_length_c   12.529
_cell_angle_alpha   90.000
_cell_angle_beta   90.921
_cell_angle_gamma   152.312
_symmetry_Int_Tables_number   1
_cell_volume   414.701
_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  0.466  0.035  0.856  1.0
  Sr  Sr1  1  0.534  0.569  0.644  1.0
  Sr  Sr2  1  0.534  0.965  0.144  1.0
  Sr  Sr3  1  0.466  0.431  0.356  1.0
  Sr  Sr4  1  0.546  0.885  0.582  1.0
  Sr  Sr5  1  0.454  0.339  0.918  1.0
  Sr  Sr6  1  0.454  0.115  0.418  1.0
  Sr  Sr7  1  0.546  0.661  0.082  1.0
  Mo  Mo8  1  0.533  0.267  0.661  1.0
  Mo  Mo9  1  0.467  0.734  0.839  1.0
  Mo  Mo10  1  0.467  0.733  0.339  1.0
  Mo  Mo11  1  0.533  0.266  0.161  1.0
  N  N12  1  0.000  0.588  0.750  1.0
  N  N13  1  0.000  0.412  0.250  1.0
  N  N14  1  0.627  0.153  0.630  1.0
  N  N15  1  0.373  0.526  0.870  1.0
  N  N16  1  0.373  0.847  0.370  1.0
  N  N17  1  0.627  0.474  0.130  1.0
  N  N18  1  0.432  0.121  0.040  1.0
  N  N19  1  0.568  0.689  0.460  1.0
  N  N20  1  0.568  0.879  0.960  1.0
  N  N21  1  0.432  0.311  0.540  1.0
  N  N22  1  0.000  0.006  0.750  1.0
  N  N23  1  0.000  0.994  0.250  1.0
[/CIF]
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