The structure described by Zn3P2 is Hazelwoodite-like structured and crystallizes in the cubic Ia-3 space group. Zn(1) is bonded to one P(1) and three equivalent P(2) atoms to form a mixture of distorted edge and corner-sharing ZnP4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted octahedral geometry to six equivalent Zn(1) atoms. In the second P site, P(2) is bonded in a 6-coordinate geometry to six equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn3P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.820
_cell_length_b   9.820
_cell_length_c   9.820
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   729.023
_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
  Zn  Zn0  1  0.975  0.728  0.965  1.0
  Zn  Zn1  1  0.737  0.772  0.247  1.0
  Zn  Zn2  1  0.525  0.990  0.253  1.0
  Zn  Zn3  1  0.763  0.510  0.535  1.0
  Zn  Zn4  1  0.728  0.965  0.975  1.0
  Zn  Zn5  1  0.772  0.247  0.737  1.0
  Zn  Zn6  1  0.990  0.253  0.525  1.0
  Zn  Zn7  1  0.510  0.535  0.763  1.0
  Zn  Zn8  1  0.965  0.975  0.728  1.0
  Zn  Zn9  1  0.247  0.737  0.772  1.0
  Zn  Zn10  1  0.253  0.525  0.990  1.0
  Zn  Zn11  1  0.535  0.763  0.510  1.0
  Zn  Zn12  1  0.025  0.272  0.035  1.0
  Zn  Zn13  1  0.263  0.228  0.753  1.0
  Zn  Zn14  1  0.475  0.010  0.747  1.0
  Zn  Zn15  1  0.237  0.490  0.465  1.0
  Zn  Zn16  1  0.272  0.035  0.025  1.0
  Zn  Zn17  1  0.228  0.753  0.263  1.0
  Zn  Zn18  1  0.010  0.747  0.475  1.0
  Zn  Zn19  1  0.490  0.465  0.237  1.0
  Zn  Zn20  1  0.035  0.025  0.272  1.0
  Zn  Zn21  1  0.753  0.263  0.228  1.0
  Zn  Zn22  1  0.747  0.475  0.010  1.0
  Zn  Zn23  1  0.465  0.237  0.490  1.0
  P  P24  1  0.000  0.500  0.000  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  0.500  0.500  0.500  1.0
  P  P28  1  0.259  0.750  0.509  1.0
  P  P29  1  0.241  0.250  0.991  1.0
  P  P30  1  0.750  0.509  0.259  1.0
  P  P31  1  0.250  0.991  0.241  1.0
  P  P32  1  0.509  0.259  0.750  1.0
  P  P33  1  0.991  0.241  0.250  1.0
  P  P34  1  0.741  0.250  0.491  1.0
  P  P35  1  0.759  0.750  0.009  1.0
  P  P36  1  0.250  0.491  0.741  1.0
  P  P37  1  0.750  0.009  0.759  1.0
  P  P38  1  0.491  0.741  0.250  1.0
  P  P39  1  0.009  0.759  0.750  1.0
[/CIF]
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The structure described by Zn3P2 is Hazelwoodite-like structured and crystallizes in the cubic Ia-3 space group. Zn(1) is bonded to one P(1) and three equivalent P(2) atoms to form a mixture of distorted edge and corner-sharing ZnP4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted octahedral geometry to six equivalent Zn(1) atoms. In the second P site, P(2) is bonded in a 6-coordinate geometry to six equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Zn3P2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.820
_cell_length_b   9.820
_cell_length_c   9.820
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   729.023
_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
  Zn  Zn0  1  0.975  0.728  0.965  1.0
  Zn  Zn1  1  0.737  0.772  0.247  1.0
  Zn  Zn2  1  0.525  0.990  0.253  1.0
  Zn  Zn3  1  0.763  0.510  0.535  1.0
  Zn  Zn4  1  0.728  0.965  0.975  1.0
  Zn  Zn5  1  0.772  0.247  0.737  1.0
  Zn  Zn6  1  0.990  0.253  0.525  1.0
  Zn  Zn7  1  0.510  0.535  0.763  1.0
  Zn  Zn8  1  0.965  0.975  0.728  1.0
  Zn  Zn9  1  0.247  0.737  0.772  1.0
  Zn  Zn10  1  0.253  0.525  0.990  1.0
  Zn  Zn11  1  0.535  0.763  0.510  1.0
  Zn  Zn12  1  0.025  0.272  0.035  1.0
  Zn  Zn13  1  0.263  0.228  0.753  1.0
  Zn  Zn14  1  0.475  0.010  0.747  1.0
  Zn  Zn15  1  0.237  0.490  0.465  1.0
  Zn  Zn16  1  0.272  0.035  0.025  1.0
  Zn  Zn17  1  0.228  0.753  0.263  1.0
  Zn  Zn18  1  0.010  0.747  0.475  1.0
  Zn  Zn19  1  0.490  0.465  0.237  1.0
  Zn  Zn20  1  0.035  0.025  0.272  1.0
  Zn  Zn21  1  0.753  0.263  0.228  1.0
  Zn  Zn22  1  0.747  0.475  0.010  1.0
  Zn  Zn23  1  0.465  0.237  0.490  1.0
  P  P24  1  0.000  0.500  0.000  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  0.500  0.500  0.500  1.0
  P  P28  1  0.259  0.750  0.509  1.0
  P  P29  1  0.241  0.250  0.991  1.0
  P  P30  1  0.750  0.509  0.259  1.0
  P  P31  1  0.250  0.991  0.241  1.0
  P  P32  1  0.509  0.259  0.750  1.0
  P  P33  1  0.991  0.241  0.250  1.0
  P  P34  1  0.741  0.250  0.491  1.0
  P  P35  1  0.759  0.750  0.009  1.0
  P  P36  1  0.250  0.491  0.741  1.0
  P  P37  1  0.750  0.009  0.759  1.0
  P  P38  1  0.491  0.741  0.250  1.0
  P  P39  1  0.009  0.759  0.750  1.0
[/CIF]
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