The material described by Sr3MoN3 crystallizes in the hexagonal P6_3/m space group. Sr(1) is bonded in a 5-coordinate geometry to five equivalent N(1) atoms. Mo(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to five equivalent Sr(1) and one Mo(1) atom to form a mixture of distorted corner and edge-sharing NSr5Mo octahedra. The corner-sharing octahedral tilt angles range from 20-43°. is represented by the CIF file [CIF]
data_Sr3MoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.979
_cell_length_b   7.979
_cell_length_c   5.358
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   295.421
_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  0.906  0.647  0.250  1.0
  Sr  Sr1  1  0.741  0.094  0.250  1.0
  Sr  Sr2  1  0.353  0.259  0.250  1.0
  Sr  Sr3  1  0.094  0.353  0.750  1.0
  Sr  Sr4  1  0.259  0.906  0.750  1.0
  Sr  Sr5  1  0.647  0.741  0.750  1.0
  Mo  Mo6  1  0.667  0.333  0.750  1.0
  Mo  Mo7  1  0.333  0.667  0.250  1.0
  N  N8  1  0.884  0.580  0.750  1.0
  N  N9  1  0.696  0.116  0.750  1.0
  N  N10  1  0.420  0.304  0.750  1.0
  N  N11  1  0.116  0.420  0.250  1.0
  N  N12  1  0.304  0.884  0.250  1.0
  N  N13  1  0.580  0.696  0.250  1.0
[/CIF]
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The material described by Sr3MoN3 crystallizes in the hexagonal P6_3/m space group. Sr(1) is bonded in a 5-coordinate geometry to five equivalent N(1) atoms. Mo(1) is bonded in a trigonal planar geometry to three equivalent N(1) atoms. N(1) is bonded to five equivalent Sr(1) and one Mo(1) atom to form a mixture of distorted corner and edge-sharing NSr5Mo octahedra. The corner-sharing octahedral tilt angles range from 20-43°. is represented by the CIF file [CIF]
data_Sr3MoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.979
_cell_length_b   7.979
_cell_length_c   5.358
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   295.421
_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  0.906  0.647  0.250  1.0
  Sr  Sr1  1  0.741  0.094  0.250  1.0
  Sr  Sr2  1  0.353  0.259  0.250  1.0
  Sr  Sr3  1  0.094  0.353  0.750  1.0
  Sr  Sr4  1  0.259  0.906  0.750  1.0
  Sr  Sr5  1  0.647  0.741  0.750  1.0
  Mo  Mo6  1  0.667  0.333  0.750  1.0
  Mo  Mo7  1  0.333  0.667  0.250  1.0
  N  N8  1  0.884  0.580  0.750  1.0
  N  N9  1  0.696  0.116  0.750  1.0
  N  N10  1  0.420  0.304  0.750  1.0
  N  N11  1  0.116  0.420  0.250  1.0
  N  N12  1  0.304  0.884  0.250  1.0
  N  N13  1  0.580  0.696  0.250  1.0
[/CIF]
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