The material structure described by BaGeO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(8), and two equivalent O(7) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a tetrahedral geometry to one O(2), one O(5), one O(7), and one O(8) atom. In the second Ge site, Ge(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Ge(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Ge(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Ge(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Ge(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Ge(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Ge(2) atom. In the seventh O site, O(7) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Ge(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaGeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.276
_cell_length_b   7.326
_cell_length_c   7.592
_cell_angle_alpha   90.966
_cell_angle_beta   90.748
_cell_angle_gamma   91.225
_symmetry_Int_Tables_number   1
_cell_volume   404.507
_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  0.580  0.706  0.703  1.0
  Ba  Ba1  1  0.420  0.294  0.297  1.0
  Ba  Ba2  1  0.119  0.225  0.797  1.0
  Ba  Ba3  1  0.881  0.775  0.203  1.0
  Ge  Ge4  1  0.082  0.737  0.704  1.0
  Ge  Ge5  1  0.918  0.263  0.296  1.0
  Ge  Ge6  1  0.621  0.224  0.800  1.0
  Ge  Ge7  1  0.379  0.776  0.200  1.0
  O  O8  1  0.781  0.397  0.881  1.0
  O  O9  1  0.219  0.603  0.119  1.0
  O  O10  1  0.227  0.585  0.818  1.0
  O  O11  1  0.773  0.415  0.182  1.0
  O  O12  1  0.485  0.330  0.641  1.0
  O  O13  1  0.515  0.670  0.359  1.0
  O  O14  1  0.463  0.142  0.959  1.0
  O  O15  1  0.537  0.858  0.041  1.0
  O  O16  1  0.934  0.637  0.539  1.0
  O  O17  1  0.066  0.363  0.461  1.0
  O  O18  1  0.752  0.049  0.691  1.0
  O  O19  1  0.248  0.951  0.309  1.0
  O  O20  1  0.937  0.851  0.856  1.0
  O  O21  1  0.063  0.149  0.144  1.0
  O  O22  1  0.243  0.905  0.623  1.0
  O  O23  1  0.757  0.095  0.377  1.0
[/CIF]
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The material structure described by BaGeO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent O(3) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(8), and two equivalent O(7) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a tetrahedral geometry to one O(2), one O(5), one O(7), and one O(8) atom. In the second Ge site, Ge(2) is bonded in a tetrahedral geometry to one O(1), one O(3), one O(4), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Ge(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Ge(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(1), and one Ge(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Ge(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), and one Ge(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Ge(2) atom. In the seventh O site, O(7) is bonded in a 1-coordinate geometry to one Ba(1), two equivalent Ba(2), and one Ge(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one Ge(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaGeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.276
_cell_length_b   7.326
_cell_length_c   7.592
_cell_angle_alpha   90.966
_cell_angle_beta   90.748
_cell_angle_gamma   91.225
_symmetry_Int_Tables_number   1
_cell_volume   404.507
_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  0.580  0.706  0.703  1.0
  Ba  Ba1  1  0.420  0.294  0.297  1.0
  Ba  Ba2  1  0.119  0.225  0.797  1.0
  Ba  Ba3  1  0.881  0.775  0.203  1.0
  Ge  Ge4  1  0.082  0.737  0.704  1.0
  Ge  Ge5  1  0.918  0.263  0.296  1.0
  Ge  Ge6  1  0.621  0.224  0.800  1.0
  Ge  Ge7  1  0.379  0.776  0.200  1.0
  O  O8  1  0.781  0.397  0.881  1.0
  O  O9  1  0.219  0.603  0.119  1.0
  O  O10  1  0.227  0.585  0.818  1.0
  O  O11  1  0.773  0.415  0.182  1.0
  O  O12  1  0.485  0.330  0.641  1.0
  O  O13  1  0.515  0.670  0.359  1.0
  O  O14  1  0.463  0.142  0.959  1.0
  O  O15  1  0.537  0.858  0.041  1.0
  O  O16  1  0.934  0.637  0.539  1.0
  O  O17  1  0.066  0.363  0.461  1.0
  O  O18  1  0.752  0.049  0.691  1.0
  O  O19  1  0.248  0.951  0.309  1.0
  O  O20  1  0.937  0.851  0.856  1.0
  O  O21  1  0.063  0.149  0.144  1.0
  O  O22  1  0.243  0.905  0.623  1.0
  O  O23  1  0.757  0.095  0.377  1.0
[/CIF]
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