The compound described by Mg3P2 crystallizes in the cubic Ia-3 space group. Mg(1) is bonded to one P(1) and three equivalent P(2) atoms to form a mixture of corner and edge-sharing MgP4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to six equivalent Mg(1) atoms to form a mixture of distorted corner and edge-sharing PMg6 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second P site, P(2) is bonded to six equivalent Mg(1) atoms to form a mixture of distorted corner and edge-sharing PMg6 octahedra. The corner-sharing octahedral tilt angles are 59°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.401
_cell_length_b   10.401
_cell_length_c   10.401
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   866.292
_cell_formula_units_Z   8
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  0.527  0.766  0.533  1.0
  Mg  Mg1  1  0.994  0.967  0.734  1.0
  Mg  Mg2  1  0.261  0.766  0.734  1.0
  Mg  Mg3  1  0.506  0.239  0.973  1.0
  Mg  Mg4  1  0.967  0.734  0.994  1.0
  Mg  Mg5  1  0.734  0.261  0.766  1.0
  Mg  Mg6  1  0.239  0.973  0.506  1.0
  Mg  Mg7  1  0.533  0.527  0.766  1.0
  Mg  Mg8  1  0.766  0.533  0.527  1.0
  Mg  Mg9  1  0.734  0.994  0.967  1.0
  Mg  Mg10  1  0.766  0.734  0.261  1.0
  Mg  Mg11  1  0.973  0.506  0.239  1.0
  Mg  Mg12  1  0.473  0.234  0.467  1.0
  Mg  Mg13  1  0.006  0.033  0.266  1.0
  Mg  Mg14  1  0.739  0.234  0.266  1.0
  Mg  Mg15  1  0.494  0.761  0.027  1.0
  Mg  Mg16  1  0.033  0.266  0.006  1.0
  Mg  Mg17  1  0.266  0.739  0.234  1.0
  Mg  Mg18  1  0.761  0.027  0.494  1.0
  Mg  Mg19  1  0.467  0.473  0.234  1.0
  Mg  Mg20  1  0.234  0.467  0.473  1.0
  Mg  Mg21  1  0.266  0.006  0.033  1.0
  Mg  Mg22  1  0.234  0.266  0.739  1.0
  Mg  Mg23  1  0.027  0.494  0.761  1.0
  P  P24  1  0.500  0.500  0.500  1.0
  P  P25  1  0.000  0.000  0.500  1.0
  P  P26  1  0.500  0.000  0.000  1.0
  P  P27  1  0.000  0.500  0.000  1.0
  P  P28  1  0.250  0.226  0.976  1.0
  P  P29  1  0.274  0.524  0.750  1.0
  P  P30  1  0.524  0.750  0.274  1.0
  P  P31  1  0.226  0.976  0.250  1.0
  P  P32  1  0.976  0.250  0.226  1.0
  P  P33  1  0.750  0.274  0.524  1.0
  P  P34  1  0.750  0.774  0.024  1.0
  P  P35  1  0.726  0.476  0.250  1.0
  P  P36  1  0.476  0.250  0.726  1.0
  P  P37  1  0.774  0.024  0.750  1.0
  P  P38  1  0.024  0.750  0.774  1.0
  P  P39  1  0.250  0.726  0.476  1.0
[/CIF]
.
The compound described by Mg3P2 crystallizes in the cubic Ia-3 space group. Mg(1) is bonded to one P(1) and three equivalent P(2) atoms to form a mixture of corner and edge-sharing MgP4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to six equivalent Mg(1) atoms to form a mixture of distorted corner and edge-sharing PMg6 octahedra. The corner-sharing octahedral tilt angles are 59°. In the second P site, P(2) is bonded to six equivalent Mg(1) atoms to form a mixture of distorted corner and edge-sharing PMg6 octahedra. The corner-sharing octahedral tilt angles are 59°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg3P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.401
_cell_length_b   10.401
_cell_length_c   10.401
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   866.292
_cell_formula_units_Z   8
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  0.527  0.766  0.533  1.0
  Mg  Mg1  1  0.994  0.967  0.734  1.0
  Mg  Mg2  1  0.261  0.766  0.734  1.0
  Mg  Mg3  1  0.506  0.239  0.973  1.0
  Mg  Mg4  1  0.967  0.734  0.994  1.0
  Mg  Mg5  1  0.734  0.261  0.766  1.0
  Mg  Mg6  1  0.239  0.973  0.506  1.0
  Mg  Mg7  1  0.533  0.527  0.766  1.0
  Mg  Mg8  1  0.766  0.533  0.527  1.0
  Mg  Mg9  1  0.734  0.994  0.967  1.0
  Mg  Mg10  1  0.766  0.734  0.261  1.0
  Mg  Mg11  1  0.973  0.506  0.239  1.0
  Mg  Mg12  1  0.473  0.234  0.467  1.0
  Mg  Mg13  1  0.006  0.033  0.266  1.0
  Mg  Mg14  1  0.739  0.234  0.266  1.0
  Mg  Mg15  1  0.494  0.761  0.027  1.0
  Mg  Mg16  1  0.033  0.266  0.006  1.0
  Mg  Mg17  1  0.266  0.739  0.234  1.0
  Mg  Mg18  1  0.761  0.027  0.494  1.0
  Mg  Mg19  1  0.467  0.473  0.234  1.0
  Mg  Mg20  1  0.234  0.467  0.473  1.0
  Mg  Mg21  1  0.266  0.006  0.033  1.0
  Mg  Mg22  1  0.234  0.266  0.739  1.0
  Mg  Mg23  1  0.027  0.494  0.761  1.0
  P  P24  1  0.500  0.500  0.500  1.0
  P  P25  1  0.000  0.000  0.500  1.0
  P  P26  1  0.500  0.000  0.000  1.0
  P  P27  1  0.000  0.500  0.000  1.0
  P  P28  1  0.250  0.226  0.976  1.0
  P  P29  1  0.274  0.524  0.750  1.0
  P  P30  1  0.524  0.750  0.274  1.0
  P  P31  1  0.226  0.976  0.250  1.0
  P  P32  1  0.976  0.250  0.226  1.0
  P  P33  1  0.750  0.274  0.524  1.0
  P  P34  1  0.750  0.774  0.024  1.0
  P  P35  1  0.726  0.476  0.250  1.0
  P  P36  1  0.476  0.250  0.726  1.0
  P  P37  1  0.774  0.024  0.750  1.0
  P  P38  1  0.024  0.750  0.774  1.0
  P  P39  1  0.250  0.726  0.476  1.0
[/CIF]
.