The compound described by Mg2OsN3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded to one N(2) and three equivalent N(1) atoms to form MgN4 tetrahedra that share corners with five equivalent Os(1)N4 tetrahedra and corners with seven equivalent Mg(1)N4 tetrahedra. Os(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form OsN4 tetrahedra that share corners with two equivalent Os(1)N4 tetrahedra and corners with ten equivalent Mg(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Mg(1) and one Os(1) atom to form NMg3Os tetrahedra that share corners with five equivalent N(2)Mg2Os2 tetrahedra and corners with seven equivalent N(1)Mg3Os tetrahedra. In the second N site, N(2) is bonded to two equivalent Mg(1) and two equivalent Os(1) atoms to form NMg2Os2 tetrahedra that share corners with two equivalent N(2)Mg2Os2 tetrahedra and corners with ten equivalent N(1)Mg3Os tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2OsN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.875
_cell_length_b   5.941
_cell_length_c   5.206
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.372
_symmetry_Int_Tables_number   1
_cell_volume   156.785
_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
  Mg  Mg0  1  0.326  0.339  0.481  1.0
  Mg  Mg1  1  0.674  0.013  0.481  1.0
  Mg  Mg2  1  0.674  0.661  0.981  1.0
  Mg  Mg3  1  0.326  0.987  0.981  1.0
  Os  Os4  1  0.000  0.692  0.491  1.0
  Os  Os5  1  0.000  0.308  0.991  1.0
  N  N6  1  0.314  0.326  0.888  1.0
  N  N7  1  0.686  0.011  0.888  1.0
  N  N8  1  0.686  0.674  0.388  1.0
  N  N9  1  0.314  0.989  0.388  1.0
  N  N10  1  0.000  0.620  0.859  1.0
  N  N11  1  0.000  0.380  0.359  1.0
[/CIF]
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The compound described by Mg2OsN3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded to one N(2) and three equivalent N(1) atoms to form MgN4 tetrahedra that share corners with five equivalent Os(1)N4 tetrahedra and corners with seven equivalent Mg(1)N4 tetrahedra. Os(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form OsN4 tetrahedra that share corners with two equivalent Os(1)N4 tetrahedra and corners with ten equivalent Mg(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Mg(1) and one Os(1) atom to form NMg3Os tetrahedra that share corners with five equivalent N(2)Mg2Os2 tetrahedra and corners with seven equivalent N(1)Mg3Os tetrahedra. In the second N site, N(2) is bonded to two equivalent Mg(1) and two equivalent Os(1) atoms to form NMg2Os2 tetrahedra that share corners with two equivalent N(2)Mg2Os2 tetrahedra and corners with ten equivalent N(1)Mg3Os tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2OsN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.875
_cell_length_b   5.941
_cell_length_c   5.206
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.372
_symmetry_Int_Tables_number   1
_cell_volume   156.785
_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
  Mg  Mg0  1  0.326  0.339  0.481  1.0
  Mg  Mg1  1  0.674  0.013  0.481  1.0
  Mg  Mg2  1  0.674  0.661  0.981  1.0
  Mg  Mg3  1  0.326  0.987  0.981  1.0
  Os  Os4  1  0.000  0.692  0.491  1.0
  Os  Os5  1  0.000  0.308  0.991  1.0
  N  N6  1  0.314  0.326  0.888  1.0
  N  N7  1  0.686  0.011  0.888  1.0
  N  N8  1  0.686  0.674  0.388  1.0
  N  N9  1  0.314  0.989  0.388  1.0
  N  N10  1  0.000  0.620  0.859  1.0
  N  N11  1  0.000  0.380  0.359  1.0
[/CIF]
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