The compound described by MoZn3N4 is Enargite structured and crystallizes in the orthorhombic Pmn2_1 space group. Mo(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form MoN4 tetrahedra that share corners with four equivalent Zn(2)N4 tetrahedra and corners with eight equivalent Zn(1)N4 tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with four equivalent Mo(1)N4 tetrahedra, corners with four equivalent Zn(1)N4 tetrahedra, and corners with four equivalent Zn(2)N4 tetrahedra. In the second Zn site, Zn(2) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with four equivalent Mo(1)N4 tetrahedra and corners with eight equivalent Zn(1)N4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Mo(1), one Zn(2), and two equivalent Zn(1) atoms to form corner-sharing NZn3Mo tetrahedra. In the second N site, N(2) is bonded to one Mo(1), one Zn(2), and two equivalent Zn(1) atoms to form corner-sharing NZn3Mo tetrahedra. In the third N site, N(3) is bonded to one Mo(1), one Zn(2), and two equivalent Zn(1) atoms to form corner-sharing NZn3Mo tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn3MoN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.501
_cell_length_b   5.625
_cell_length_c   5.305
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.026
_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  0.252  0.832  0.731  1.0
  Zn  Zn1  1  0.248  0.168  0.231  1.0
  Zn  Zn2  1  0.748  0.832  0.731  1.0
  Zn  Zn3  1  0.752  0.168  0.231  1.0
  Zn  Zn4  1  0.000  0.334  0.730  1.0
  Zn  Zn5  1  0.500  0.666  0.230  1.0
  Mo  Mo6  1  0.000  0.670  0.229  1.0
  Mo  Mo7  1  0.500  0.330  0.729  1.0
  N  N8  1  0.763  0.826  0.114  1.0
  N  N9  1  0.737  0.174  0.614  1.0
  N  N10  1  0.237  0.826  0.114  1.0
  N  N11  1  0.263  0.174  0.614  1.0
  N  N12  1  0.000  0.358  0.113  1.0
  N  N13  1  0.500  0.642  0.613  1.0
  N  N14  1  0.000  0.671  0.578  1.0
  N  N15  1  0.500  0.329  0.078  1.0
[/CIF]
.
The compound described by MoZn3N4 is Enargite structured and crystallizes in the orthorhombic Pmn2_1 space group. Mo(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form MoN4 tetrahedra that share corners with four equivalent Zn(2)N4 tetrahedra and corners with eight equivalent Zn(1)N4 tetrahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with four equivalent Mo(1)N4 tetrahedra, corners with four equivalent Zn(1)N4 tetrahedra, and corners with four equivalent Zn(2)N4 tetrahedra. In the second Zn site, Zn(2) is bonded to one N(2), one N(3), and two equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with four equivalent Mo(1)N4 tetrahedra and corners with eight equivalent Zn(1)N4 tetrahedra. There are three inequivalent N sites. In the first N site, N(1) is bonded to one Mo(1), one Zn(2), and two equivalent Zn(1) atoms to form corner-sharing NZn3Mo tetrahedra. In the second N site, N(2) is bonded to one Mo(1), one Zn(2), and two equivalent Zn(1) atoms to form corner-sharing NZn3Mo tetrahedra. In the third N site, N(3) is bonded to one Mo(1), one Zn(2), and two equivalent Zn(1) atoms to form corner-sharing NZn3Mo tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn3MoN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.501
_cell_length_b   5.625
_cell_length_c   5.305
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.026
_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  0.252  0.832  0.731  1.0
  Zn  Zn1  1  0.248  0.168  0.231  1.0
  Zn  Zn2  1  0.748  0.832  0.731  1.0
  Zn  Zn3  1  0.752  0.168  0.231  1.0
  Zn  Zn4  1  0.000  0.334  0.730  1.0
  Zn  Zn5  1  0.500  0.666  0.230  1.0
  Mo  Mo6  1  0.000  0.670  0.229  1.0
  Mo  Mo7  1  0.500  0.330  0.729  1.0
  N  N8  1  0.763  0.826  0.114  1.0
  N  N9  1  0.737  0.174  0.614  1.0
  N  N10  1  0.237  0.826  0.114  1.0
  N  N11  1  0.263  0.174  0.614  1.0
  N  N12  1  0.000  0.358  0.113  1.0
  N  N13  1  0.500  0.642  0.613  1.0
  N  N14  1  0.000  0.671  0.578  1.0
  N  N15  1  0.500  0.329  0.078  1.0
[/CIF]
.