The material described by ZnP2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one P(2), one P(4), and two equivalent P(3) atoms to form ZnP4 tetrahedra that share corners with two equivalent Zn(1)P4 tetrahedra, corners with two equivalent Zn(2)P4 tetrahedra, corners with two equivalent P(1)Zn2P2 tetrahedra, corners with two equivalent P(2)Zn2P2 tetrahedra, corners with two equivalent P(3)Zn2P2 tetrahedra, and corners with two equivalent P(4)Zn2P2 tetrahedra. In the second Zn site, Zn(2) is bonded to one P(2), one P(4), and two equivalent P(1) atoms to form ZnP4 tetrahedra that share corners with two equivalent Zn(1)P4 tetrahedra, corners with two equivalent Zn(2)P4 tetrahedra, corners with two equivalent P(1)Zn2P2 tetrahedra, corners with two equivalent P(2)Zn2P2 tetrahedra, corners with two equivalent P(3)Zn2P2 tetrahedra, and corners with two equivalent P(4)Zn2P2 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Zn(2), one P(2), and one P(4) atom to form distorted PZn2P2 tetrahedra that share corners with two equivalent Zn(1)P4 tetrahedra, corners with two equivalent Zn(2)P4 tetrahedra, corners with two equivalent P(1)Zn2P2 tetrahedra, corners with two equivalent P(2)Zn2P2 tetrahedra, corners with two equivalent P(3)Zn2P2 tetrahedra, and corners with two equivalent P(4)Zn2P2 tetrahedra. In the second P site, P(2) is bonded to one Zn(1), one Zn(2), one P(1), and one P(3) atom to form distorted PZn2P2 tetrahedra that share corners with two equivalent Zn(1)P4 tetrahedra, corners with two equivalent Zn(2)P4 tetrahedra, corners with two equivalent P(1)Zn2P2 tetrahedra, corners with two equivalent P(3)Zn2P2 tetrahedra, and corners with four equivalent P(4)Zn2P2 tetrahedra. In the third P site, P(3) is bonded to two equivalent Zn(1), one P(2), and one P(4) atom to form distorted PZn2P2 tetrahedra that share corners with two equivalent Zn(1)P4 tetrahedra, corners with two equivalent Zn(2)P4 tetrahedra, corners with two equivalent P(1)Zn2P2 tetrahedra, corners with two equivalent P(2)Zn2P2 tetrahedra, corners with two equivalent P(3)Zn2P2 tetrahedra, and corners with two equivalent P(4)Zn2P2 tetrahedra. In the fourth P site, P(4) is bonded to one Zn(1), one Zn(2), one P(1), and one P(3) atom to form distorted PZn2P2 tetrahedra that share corners with two equivalent Zn(1)P4 tetrahedra, corners with two equivalent Zn(2)P4 tetrahedra, corners with two equivalent P(1)Zn2P2 tetrahedra, corners with two equivalent P(3)Zn2P2 tetrahedra, and corners with four equivalent P(2)Zn2P2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.256
_cell_length_b   7.527
_cell_length_c   8.808
_cell_angle_alpha   102.361
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   469.906
_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  0.405  0.725  0.392  1.0
  Zn  Zn1  1  0.905  0.775  0.608  1.0
  Zn  Zn2  1  0.595  0.275  0.608  1.0
  Zn  Zn3  1  0.095  0.225  0.392  1.0
  Zn  Zn4  1  0.753  0.894  0.082  1.0
  Zn  Zn5  1  0.253  0.606  0.918  1.0
  Zn  Zn6  1  0.247  0.106  0.918  1.0
  Zn  Zn7  1  0.747  0.394  0.082  1.0
  P  P8  1  0.244  0.895  0.077  1.0
  P  P9  1  0.744  0.605  0.923  1.0
  P  P10  1  0.756  0.105  0.923  1.0
  P  P11  1  0.256  0.395  0.077  1.0
  P  P12  1  0.016  0.928  0.242  1.0
  P  P13  1  0.516  0.572  0.758  1.0
  P  P14  1  0.984  0.072  0.758  1.0
  P  P15  1  0.484  0.428  0.242  1.0
  P  P16  1  0.426  0.217  0.375  1.0
  P  P17  1  0.926  0.283  0.625  1.0
  P  P18  1  0.574  0.783  0.625  1.0
  P  P19  1  0.074  0.717  0.375  1.0
  P  P20  1  0.019  0.441  0.235  1.0
  P  P21  1  0.519  0.059  0.765  1.0
  P  P22  1  0.981  0.559  0.765  1.0
  P  P23  1  0.481  0.941  0.235  1.0
[/CIF]
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The material described by ZnP2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one P(2), one P(4), and two equivalent P(3) atoms to form ZnP4 tetrahedra that share corners with two equivalent Zn(1)P4 tetrahedra, corners with two equivalent Zn(2)P4 tetrahedra, corners with two equivalent P(1)Zn2P2 tetrahedra, corners with two equivalent P(2)Zn2P2 tetrahedra, corners with two equivalent P(3)Zn2P2 tetrahedra, and corners with two equivalent P(4)Zn2P2 tetrahedra. In the second Zn site, Zn(2) is bonded to one P(2), one P(4), and two equivalent P(1) atoms to form ZnP4 tetrahedra that share corners with two equivalent Zn(1)P4 tetrahedra, corners with two equivalent Zn(2)P4 tetrahedra, corners with two equivalent P(1)Zn2P2 tetrahedra, corners with two equivalent P(2)Zn2P2 tetrahedra, corners with two equivalent P(3)Zn2P2 tetrahedra, and corners with two equivalent P(4)Zn2P2 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to two equivalent Zn(2), one P(2), and one P(4) atom to form distorted PZn2P2 tetrahedra that share corners with two equivalent Zn(1)P4 tetrahedra, corners with two equivalent Zn(2)P4 tetrahedra, corners with two equivalent P(1)Zn2P2 tetrahedra, corners with two equivalent P(2)Zn2P2 tetrahedra, corners with two equivalent P(3)Zn2P2 tetrahedra, and corners with two equivalent P(4)Zn2P2 tetrahedra. In the second P site, P(2) is bonded to one Zn(1), one Zn(2), one P(1), and one P(3) atom to form distorted PZn2P2 tetrahedra that share corners with two equivalent Zn(1)P4 tetrahedra, corners with two equivalent Zn(2)P4 tetrahedra, corners with two equivalent P(1)Zn2P2 tetrahedra, corners with two equivalent P(3)Zn2P2 tetrahedra, and corners with four equivalent P(4)Zn2P2 tetrahedra. In the third P site, P(3) is bonded to two equivalent Zn(1), one P(2), and one P(4) atom to form distorted PZn2P2 tetrahedra that share corners with two equivalent Zn(1)P4 tetrahedra, corners with two equivalent Zn(2)P4 tetrahedra, corners with two equivalent P(1)Zn2P2 tetrahedra, corners with two equivalent P(2)Zn2P2 tetrahedra, corners with two equivalent P(3)Zn2P2 tetrahedra, and corners with two equivalent P(4)Zn2P2 tetrahedra. In the fourth P site, P(4) is bonded to one Zn(1), one Zn(2), one P(1), and one P(3) atom to form distorted PZn2P2 tetrahedra that share corners with two equivalent Zn(1)P4 tetrahedra, corners with two equivalent Zn(2)P4 tetrahedra, corners with two equivalent P(1)Zn2P2 tetrahedra, corners with two equivalent P(3)Zn2P2 tetrahedra, and corners with four equivalent P(2)Zn2P2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_ZnP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.256
_cell_length_b   7.527
_cell_length_c   8.808
_cell_angle_alpha   102.361
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   469.906
_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  0.405  0.725  0.392  1.0
  Zn  Zn1  1  0.905  0.775  0.608  1.0
  Zn  Zn2  1  0.595  0.275  0.608  1.0
  Zn  Zn3  1  0.095  0.225  0.392  1.0
  Zn  Zn4  1  0.753  0.894  0.082  1.0
  Zn  Zn5  1  0.253  0.606  0.918  1.0
  Zn  Zn6  1  0.247  0.106  0.918  1.0
  Zn  Zn7  1  0.747  0.394  0.082  1.0
  P  P8  1  0.244  0.895  0.077  1.0
  P  P9  1  0.744  0.605  0.923  1.0
  P  P10  1  0.756  0.105  0.923  1.0
  P  P11  1  0.256  0.395  0.077  1.0
  P  P12  1  0.016  0.928  0.242  1.0
  P  P13  1  0.516  0.572  0.758  1.0
  P  P14  1  0.984  0.072  0.758  1.0
  P  P15  1  0.484  0.428  0.242  1.0
  P  P16  1  0.426  0.217  0.375  1.0
  P  P17  1  0.926  0.283  0.625  1.0
  P  P18  1  0.574  0.783  0.625  1.0
  P  P19  1  0.074  0.717  0.375  1.0
  P  P20  1  0.019  0.441  0.235  1.0
  P  P21  1  0.519  0.059  0.765  1.0
  P  P22  1  0.981  0.559  0.765  1.0
  P  P23  1  0.481  0.941  0.235  1.0
[/CIF]
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