The material structure described by Ba(GeP)2 crystallizes in the tetragonal P4_2mc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted body-centered cubic geometry to eight equivalent P(1) atoms. In the second Ba site, Ba(2) is bonded in a body-centered cubic geometry to eight equivalent P(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 2-coordinate geometry to one Ge(2) and two equivalent P(1) atoms. In the second Ge site, Ge(2) is bonded in a 4-coordinate geometry to one Ge(1), one Ge(2), and two equivalent P(1) atoms. P(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Ge(1), and one Ge(2) atom. is represented by the CIF file [CIF]
data_Ba(GeP)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.676
_cell_length_b   7.676
_cell_length_c   8.556
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.152
_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  0.000  0.500  0.527  1.0
  Ba  Ba1  1  0.500  0.000  0.027  1.0
  Ba  Ba2  1  0.000  0.000  0.498  1.0
  Ba  Ba3  1  0.000  0.000  0.998  1.0
  Ge  Ge4  1  0.500  0.167  0.615  1.0
  Ge  Ge5  1  0.833  0.500  0.115  1.0
  Ge  Ge6  1  0.167  0.500  0.115  1.0
  Ge  Ge7  1  0.500  0.833  0.615  1.0
  Ge  Ge8  1  0.500  0.332  0.367  1.0
  Ge  Ge9  1  0.332  0.500  0.867  1.0
  Ge  Ge10  1  0.668  0.500  0.867  1.0
  Ge  Ge11  1  0.500  0.668  0.367  1.0
  P  P12  1  0.251  0.235  0.756  1.0
  P  P13  1  0.749  0.765  0.756  1.0
  P  P14  1  0.235  0.749  0.256  1.0
  P  P15  1  0.765  0.251  0.256  1.0
  P  P16  1  0.749  0.235  0.756  1.0
  P  P17  1  0.235  0.251  0.256  1.0
  P  P18  1  0.765  0.749  0.256  1.0
  P  P19  1  0.251  0.765  0.756  1.0
[/CIF]
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The material structure described by Ba(GeP)2 crystallizes in the tetragonal P4_2mc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a distorted body-centered cubic geometry to eight equivalent P(1) atoms. In the second Ba site, Ba(2) is bonded in a body-centered cubic geometry to eight equivalent P(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 2-coordinate geometry to one Ge(2) and two equivalent P(1) atoms. In the second Ge site, Ge(2) is bonded in a 4-coordinate geometry to one Ge(1), one Ge(2), and two equivalent P(1) atoms. P(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1), two equivalent Ba(2), one Ge(1), and one Ge(2) atom. is represented by the CIF file [CIF]
data_Ba(GeP)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.676
_cell_length_b   7.676
_cell_length_c   8.556
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   504.152
_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  0.000  0.500  0.527  1.0
  Ba  Ba1  1  0.500  0.000  0.027  1.0
  Ba  Ba2  1  0.000  0.000  0.498  1.0
  Ba  Ba3  1  0.000  0.000  0.998  1.0
  Ge  Ge4  1  0.500  0.167  0.615  1.0
  Ge  Ge5  1  0.833  0.500  0.115  1.0
  Ge  Ge6  1  0.167  0.500  0.115  1.0
  Ge  Ge7  1  0.500  0.833  0.615  1.0
  Ge  Ge8  1  0.500  0.332  0.367  1.0
  Ge  Ge9  1  0.332  0.500  0.867  1.0
  Ge  Ge10  1  0.668  0.500  0.867  1.0
  Ge  Ge11  1  0.500  0.668  0.367  1.0
  P  P12  1  0.251  0.235  0.756  1.0
  P  P13  1  0.749  0.765  0.756  1.0
  P  P14  1  0.235  0.749  0.256  1.0
  P  P15  1  0.765  0.251  0.256  1.0
  P  P16  1  0.749  0.235  0.756  1.0
  P  P17  1  0.235  0.251  0.256  1.0
  P  P18  1  0.765  0.749  0.256  1.0
  P  P19  1  0.251  0.765  0.756  1.0
[/CIF]
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