The compound described by Ba2GeAs2 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 As(1), and three equivalent As(2) atoms. In the second Ba site, Ba(2) is bonded to three equivalent As(1) and three equivalent As(2) atoms to form distorted edge-sharing BaAs6 octahedra. Ge(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Ge(1), one As(1), and one As(2) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Ba(1), three equivalent Ba(2), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing AsBa6Ge pentagonal bipyramids. In the second As site, As(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 Crystallographic Information File (CIF) [CIF]
data_Ba2GeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.801
_cell_length_b   7.739
_cell_length_c   8.838
_cell_angle_alpha   73.894
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   644.062
_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  0.397  0.481  1.0
  Ba  Ba1  1  0.164  0.103  0.519  1.0
  Ba  Ba2  1  0.336  0.603  0.519  1.0
  Ba  Ba3  1  0.836  0.897  0.481  1.0
  Ba  Ba4  1  0.860  0.757  0.997  1.0
  Ba  Ba5  1  0.360  0.743  0.003  1.0
  Ba  Ba6  1  0.140  0.243  0.003  1.0
  Ba  Ba7  1  0.640  0.257  0.997  1.0
  Ge  Ge8  1  0.468  0.024  0.361  1.0
  Ge  Ge9  1  0.032  0.524  0.361  1.0
  Ge  Ge10  1  0.532  0.976  0.639  1.0
  Ge  Ge11  1  0.968  0.476  0.639  1.0
  As  As12  1  0.599  0.670  0.755  1.0
  As  As13  1  0.401  0.162  0.763  1.0
  As  As14  1  0.599  0.838  0.237  1.0
  As  As15  1  0.099  0.662  0.763  1.0
  As  As16  1  0.099  0.830  0.245  1.0
  As  As17  1  0.401  0.330  0.245  1.0
  As  As18  1  0.901  0.170  0.755  1.0
  As  As19  1  0.901  0.338  0.237  1.0
[/CIF]
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The compound described by Ba2GeAs2 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 As(1), and three equivalent As(2) atoms. In the second Ba site, Ba(2) is bonded to three equivalent As(1) and three equivalent As(2) atoms to form distorted edge-sharing BaAs6 octahedra. Ge(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Ge(1), one As(1), and one As(2) atom. There are two inequivalent As sites. In the first As site, As(1) is bonded to three equivalent Ba(1), three equivalent Ba(2), and one Ge(1) atom to form a mixture of distorted corner and edge-sharing AsBa6Ge pentagonal bipyramids. In the second As site, As(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 Crystallographic Information File (CIF) [CIF]
data_Ba2GeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.801
_cell_length_b   7.739
_cell_length_c   8.838
_cell_angle_alpha   73.894
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   644.062
_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  0.397  0.481  1.0
  Ba  Ba1  1  0.164  0.103  0.519  1.0
  Ba  Ba2  1  0.336  0.603  0.519  1.0
  Ba  Ba3  1  0.836  0.897  0.481  1.0
  Ba  Ba4  1  0.860  0.757  0.997  1.0
  Ba  Ba5  1  0.360  0.743  0.003  1.0
  Ba  Ba6  1  0.140  0.243  0.003  1.0
  Ba  Ba7  1  0.640  0.257  0.997  1.0
  Ge  Ge8  1  0.468  0.024  0.361  1.0
  Ge  Ge9  1  0.032  0.524  0.361  1.0
  Ge  Ge10  1  0.532  0.976  0.639  1.0
  Ge  Ge11  1  0.968  0.476  0.639  1.0
  As  As12  1  0.599  0.670  0.755  1.0
  As  As13  1  0.401  0.162  0.763  1.0
  As  As14  1  0.599  0.838  0.237  1.0
  As  As15  1  0.099  0.662  0.763  1.0
  As  As16  1  0.099  0.830  0.245  1.0
  As  As17  1  0.401  0.330  0.245  1.0
  As  As18  1  0.901  0.170  0.755  1.0
  As  As19  1  0.901  0.338  0.237  1.0
[/CIF]
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