The material described by MoZn2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. 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 Mo(1)N4 tetrahedra and corners with ten equivalent Zn(1)N4 tetrahedra. Zn(1) is bonded to one N(2) and three equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with five equivalent Mo(1)N4 tetrahedra and corners with seven equivalent Zn(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Mo(1) and three equivalent Zn(1) atoms to form NZn3Mo tetrahedra that share corners with five equivalent N(2)Zn2Mo2 tetrahedra and corners with seven equivalent N(1)Zn3Mo tetrahedra. In the second N site, N(2) is bonded to two equivalent Mo(1) and two equivalent Zn(1) atoms to form NZn2Mo2 tetrahedra that share corners with two equivalent N(2)Zn2Mo2 tetrahedra and corners with ten equivalent N(1)Zn3Mo tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2MoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.725
_cell_length_b   5.725
_cell_length_c   5.357
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.167
_symmetry_Int_Tables_number   1
_cell_volume   151.809
_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
  Zn  Zn0  1  0.516  0.181  0.527  1.0
  Zn  Zn1  1  0.181  0.516  0.527  1.0
  Zn  Zn2  1  0.484  0.819  0.027  1.0
  Zn  Zn3  1  0.819  0.484  0.027  1.0
  Mo  Mo4  1  0.156  0.156  0.042  1.0
  Mo  Mo5  1  0.844  0.844  0.542  1.0
  N  N6  1  0.470  0.151  0.144  1.0
  N  N7  1  0.151  0.470  0.144  1.0
  N  N8  1  0.530  0.849  0.644  1.0
  N  N9  1  0.849  0.530  0.644  1.0
  N  N10  1  0.172  0.172  0.672  1.0
  N  N11  1  0.828  0.828  0.172  1.0
[/CIF]
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The material described by MoZn2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. 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 Mo(1)N4 tetrahedra and corners with ten equivalent Zn(1)N4 tetrahedra. Zn(1) is bonded to one N(2) and three equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with five equivalent Mo(1)N4 tetrahedra and corners with seven equivalent Zn(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to one Mo(1) and three equivalent Zn(1) atoms to form NZn3Mo tetrahedra that share corners with five equivalent N(2)Zn2Mo2 tetrahedra and corners with seven equivalent N(1)Zn3Mo tetrahedra. In the second N site, N(2) is bonded to two equivalent Mo(1) and two equivalent Zn(1) atoms to form NZn2Mo2 tetrahedra that share corners with two equivalent N(2)Zn2Mo2 tetrahedra and corners with ten equivalent N(1)Zn3Mo tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2MoN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.725
_cell_length_b   5.725
_cell_length_c   5.357
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.167
_symmetry_Int_Tables_number   1
_cell_volume   151.809
_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
  Zn  Zn0  1  0.516  0.181  0.527  1.0
  Zn  Zn1  1  0.181  0.516  0.527  1.0
  Zn  Zn2  1  0.484  0.819  0.027  1.0
  Zn  Zn3  1  0.819  0.484  0.027  1.0
  Mo  Mo4  1  0.156  0.156  0.042  1.0
  Mo  Mo5  1  0.844  0.844  0.542  1.0
  N  N6  1  0.470  0.151  0.144  1.0
  N  N7  1  0.151  0.470  0.144  1.0
  N  N8  1  0.530  0.849  0.644  1.0
  N  N9  1  0.849  0.530  0.644  1.0
  N  N10  1  0.172  0.172  0.672  1.0
  N  N11  1  0.828  0.828  0.172  1.0
[/CIF]
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