The crystal structure described by Zn2PN3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Zn(1) is bonded to one N(2) and three equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with five equivalent P(1)N4 tetrahedra and corners with seven equivalent Zn(1)N4 tetrahedra. P(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form PN4 tetrahedra that share corners with two equivalent P(1)N4 tetrahedra and corners with ten equivalent Zn(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Zn(1) and one P(1) atom to form NZn3P tetrahedra that share corners with five equivalent N(2)Zn2P2 tetrahedra and corners with seven equivalent N(1)Zn3P tetrahedra. In the second N site, N(2) is bonded to two equivalent Zn(1) and two equivalent P(1) atoms to form NZn2P2 tetrahedra that share corners with two equivalent N(2)Zn2P2 tetrahedra and corners with ten equivalent N(1)Zn3P tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2PN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.930
_cell_length_b   5.403
_cell_length_c   5.403
_cell_angle_alpha   119.431
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   125.354
_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  0.469  0.824  0.494  1.0
  Zn  Zn1  1  0.469  0.494  0.824  1.0
  Zn  Zn2  1  0.969  0.176  0.506  1.0
  Zn  Zn3  1  0.969  0.506  0.176  1.0
  P  P4  1  0.956  0.840  0.840  1.0
  P  P5  1  0.456  0.160  0.160  1.0
  N  N6  1  0.874  0.840  0.552  1.0
  N  N7  1  0.874  0.552  0.840  1.0
  N  N8  1  0.374  0.160  0.448  1.0
  N  N9  1  0.374  0.448  0.160  1.0
  N  N10  1  0.302  0.882  0.882  1.0
  N  N11  1  0.802  0.118  0.118  1.0
[/CIF]
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The crystal structure described by Zn2PN3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. Zn(1) is bonded to one N(2) and three equivalent N(1) atoms to form ZnN4 tetrahedra that share corners with five equivalent P(1)N4 tetrahedra and corners with seven equivalent Zn(1)N4 tetrahedra. P(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form PN4 tetrahedra that share corners with two equivalent P(1)N4 tetrahedra and corners with ten equivalent Zn(1)N4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to three equivalent Zn(1) and one P(1) atom to form NZn3P tetrahedra that share corners with five equivalent N(2)Zn2P2 tetrahedra and corners with seven equivalent N(1)Zn3P tetrahedra. In the second N site, N(2) is bonded to two equivalent Zn(1) and two equivalent P(1) atoms to form NZn2P2 tetrahedra that share corners with two equivalent N(2)Zn2P2 tetrahedra and corners with ten equivalent N(1)Zn3P tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn2PN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.930
_cell_length_b   5.403
_cell_length_c   5.403
_cell_angle_alpha   119.431
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   125.354
_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  0.469  0.824  0.494  1.0
  Zn  Zn1  1  0.469  0.494  0.824  1.0
  Zn  Zn2  1  0.969  0.176  0.506  1.0
  Zn  Zn3  1  0.969  0.506  0.176  1.0
  P  P4  1  0.956  0.840  0.840  1.0
  P  P5  1  0.456  0.160  0.160  1.0
  N  N6  1  0.874  0.840  0.552  1.0
  N  N7  1  0.874  0.552  0.840  1.0
  N  N8  1  0.374  0.160  0.448  1.0
  N  N9  1  0.374  0.448  0.160  1.0
  N  N10  1  0.302  0.882  0.882  1.0
  N  N11  1  0.802  0.118  0.118  1.0
[/CIF]
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