The crystal structure described by Mg2PN3 crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded in a 5-coordinate geometry to one N(1) and four equivalent N(2) atoms. P(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form corner-sharing PN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Mg(1) and two equivalent P(1) atoms to form distorted corner-sharing NMg2P2 tetrahedra. In the second N site, N(2) is bonded in a 5-coordinate geometry to four equivalent Mg(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Mg2PN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.707
_cell_length_b   5.617
_cell_length_c   5.617
_cell_angle_alpha   119.645
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   129.070
_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  0.471  0.829  0.503  1.0
  Mg  Mg1  1  0.471  0.503  0.829  1.0
  Mg  Mg2  1  0.971  0.171  0.497  1.0
  Mg  Mg3  1  0.971  0.497  0.171  1.0
  P  P4  1  0.492  0.162  0.162  1.0
  P  P5  1  0.992  0.838  0.838  1.0
  N  N6  1  0.346  0.891  0.891  1.0
  N  N7  1  0.846  0.109  0.109  1.0
  N  N8  1  0.420  0.163  0.443  1.0
  N  N9  1  0.920  0.837  0.557  1.0
  N  N10  1  0.420  0.443  0.163  1.0
  N  N11  1  0.920  0.557  0.837  1.0
[/CIF]
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The crystal structure described by Mg2PN3 crystallizes in the orthorhombic Cmc2_1 space group. Mg(1) is bonded in a 5-coordinate geometry to one N(1) and four equivalent N(2) atoms. P(1) is bonded to two equivalent N(1) and two equivalent N(2) atoms to form corner-sharing PN4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded to two equivalent Mg(1) and two equivalent P(1) atoms to form distorted corner-sharing NMg2P2 tetrahedra. In the second N site, N(2) is bonded in a 5-coordinate geometry to four equivalent Mg(1) and one P(1) atom. is represented by the CIF file [CIF]
data_Mg2PN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.707
_cell_length_b   5.617
_cell_length_c   5.617
_cell_angle_alpha   119.645
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   129.070
_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  0.471  0.829  0.503  1.0
  Mg  Mg1  1  0.471  0.503  0.829  1.0
  Mg  Mg2  1  0.971  0.171  0.497  1.0
  Mg  Mg3  1  0.971  0.497  0.171  1.0
  P  P4  1  0.492  0.162  0.162  1.0
  P  P5  1  0.992  0.838  0.838  1.0
  N  N6  1  0.346  0.891  0.891  1.0
  N  N7  1  0.846  0.109  0.109  1.0
  N  N8  1  0.420  0.163  0.443  1.0
  N  N9  1  0.920  0.837  0.557  1.0
  N  N10  1  0.420  0.443  0.163  1.0
  N  N11  1  0.920  0.557  0.837  1.0
[/CIF]
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