The crystal structure described by Ba2GeP2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to two equivalent Ge(1), three equivalent P(1), and three equivalent P(2) atoms. In the second Ba site, Ba(2) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form distorted edge-sharing BaP6 octahedra. Ge(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one P(1), and one P(2) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1), three equivalent Ba(2), and one Ge(1) atom. In the second P site, P(2) is bonded in a 7-coordinate geometry to three equivalent Ba(1), three equivalent Ba(2), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Ba2GeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.639
_cell_length_b   7.568
_cell_length_c   8.656
_cell_angle_alpha   73.907
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   606.673
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.664  0.400  0.479  1.0
  Ba  Ba1  1  0.164  0.100  0.521  1.0
  Ba  Ba2  1  0.336  0.600  0.521  1.0
  Ba  Ba3  1  0.836  0.900  0.479  1.0
  Ba  Ba4  1  0.859  0.761  0.992  1.0
  Ba  Ba5  1  0.359  0.739  0.008  1.0
  Ba  Ba6  1  0.141  0.239  0.008  1.0
  Ba  Ba7  1  0.641  0.261  0.992  1.0
  Ge  Ge8  1  0.530  0.974  0.642  1.0
  Ge  Ge9  1  0.030  0.526  0.358  1.0
  Ge  Ge10  1  0.470  0.026  0.358  1.0
  Ge  Ge11  1  0.970  0.474  0.642  1.0
  P  P12  1  0.904  0.176  0.755  1.0
  P  P13  1  0.404  0.324  0.245  1.0
  P  P14  1  0.096  0.824  0.245  1.0
  P  P15  1  0.596  0.676  0.755  1.0
  P  P16  1  0.403  0.156  0.762  1.0
  P  P17  1  0.903  0.344  0.238  1.0
  P  P18  1  0.597  0.844  0.238  1.0
  P  P19  1  0.097  0.656  0.762  1.0
[/CIF]
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The crystal structure described by Ba2GeP2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to two equivalent Ge(1), three equivalent P(1), and three equivalent P(2) atoms. In the second Ba site, Ba(2) is bonded to three equivalent P(1) and three equivalent P(2) atoms to form distorted edge-sharing BaP6 octahedra. Ge(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one P(1), and one P(2) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 7-coordinate geometry to three equivalent Ba(1), three equivalent Ba(2), and one Ge(1) atom. In the second P site, P(2) is bonded in a 7-coordinate geometry to three equivalent Ba(1), three equivalent Ba(2), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Ba2GeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.639
_cell_length_b   7.568
_cell_length_c   8.656
_cell_angle_alpha   73.907
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   606.673
_cell_formula_units_Z   4
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
  Ba  Ba0  1  0.664  0.400  0.479  1.0
  Ba  Ba1  1  0.164  0.100  0.521  1.0
  Ba  Ba2  1  0.336  0.600  0.521  1.0
  Ba  Ba3  1  0.836  0.900  0.479  1.0
  Ba  Ba4  1  0.859  0.761  0.992  1.0
  Ba  Ba5  1  0.359  0.739  0.008  1.0
  Ba  Ba6  1  0.141  0.239  0.008  1.0
  Ba  Ba7  1  0.641  0.261  0.992  1.0
  Ge  Ge8  1  0.530  0.974  0.642  1.0
  Ge  Ge9  1  0.030  0.526  0.358  1.0
  Ge  Ge10  1  0.470  0.026  0.358  1.0
  Ge  Ge11  1  0.970  0.474  0.642  1.0
  P  P12  1  0.904  0.176  0.755  1.0
  P  P13  1  0.404  0.324  0.245  1.0
  P  P14  1  0.096  0.824  0.245  1.0
  P  P15  1  0.596  0.676  0.755  1.0
  P  P16  1  0.403  0.156  0.762  1.0
  P  P17  1  0.903  0.344  0.238  1.0
  P  P18  1  0.597  0.844  0.238  1.0
  P  P19  1  0.097  0.656  0.762  1.0
[/CIF]
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