The material structure described by Ba3GeO5 crystallizes in the tetragonal P4/ncc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1) and eight equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Ge(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and four equivalent Ba(2) atoms to form distorted corner-sharing OBa6 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Ba(1), three equivalent Ba(2), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Ba3GeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.381
_cell_length_b   7.381
_cell_length_c   11.701
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   637.552
_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  0.999  1.0
  Ba  Ba1  1  0.000  0.500  0.499  1.0
  Ba  Ba2  1  0.183  0.817  0.750  1.0
  Ba  Ba3  1  0.183  0.183  0.250  1.0
  Ba  Ba4  1  0.317  0.317  0.750  1.0
  Ba  Ba5  1  0.317  0.683  0.250  1.0
  Ba  Ba6  1  0.500  0.000  0.001  1.0
  Ba  Ba7  1  0.500  0.000  0.501  1.0
  Ba  Ba8  1  0.683  0.317  0.250  1.0
  Ba  Ba9  1  0.683  0.683  0.750  1.0
  Ba  Ba10  1  0.817  0.817  0.250  1.0
  Ba  Ba11  1  0.817  0.183  0.750  1.0
  Ge  Ge12  1  0.000  0.000  0.000  1.0
  Ge  Ge13  1  0.000  0.000  0.500  1.0
  Ge  Ge14  1  0.500  0.500  0.000  1.0
  Ge  Ge15  1  0.500  0.500  0.500  1.0
  O  O16  1  0.000  0.500  0.228  1.0
  O  O17  1  0.000  0.500  0.728  1.0
  O  O18  1  0.116  0.850  0.408  1.0
  O  O19  1  0.116  0.150  0.908  1.0
  O  O20  1  0.150  0.116  0.592  1.0
  O  O21  1  0.150  0.884  0.092  1.0
  O  O22  1  0.350  0.616  0.908  1.0
  O  O23  1  0.350  0.384  0.408  1.0
  O  O24  1  0.384  0.350  0.092  1.0
  O  O25  1  0.384  0.650  0.592  1.0
  O  O26  1  0.500  0.000  0.272  1.0
  O  O27  1  0.500  0.000  0.772  1.0
  O  O28  1  0.616  0.350  0.592  1.0
  O  O29  1  0.616  0.650  0.092  1.0
  O  O30  1  0.650  0.616  0.408  1.0
  O  O31  1  0.650  0.384  0.908  1.0
  O  O32  1  0.850  0.884  0.592  1.0
  O  O33  1  0.850  0.116  0.092  1.0
  O  O34  1  0.884  0.150  0.408  1.0
  O  O35  1  0.884  0.850  0.908  1.0
[/CIF]
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The material structure described by Ba3GeO5 crystallizes in the tetragonal P4/ncc space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(1) and eight equivalent O(2) atoms. In the second Ba site, Ba(2) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Ge(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1) and four equivalent Ba(2) atoms to form distorted corner-sharing OBa6 octahedra. The corner-sharing octahedral tilt angles range from 0-30°. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Ba(1), three equivalent Ba(2), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Ba3GeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.381
_cell_length_b   7.381
_cell_length_c   11.701
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   637.552
_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  0.999  1.0
  Ba  Ba1  1  0.000  0.500  0.499  1.0
  Ba  Ba2  1  0.183  0.817  0.750  1.0
  Ba  Ba3  1  0.183  0.183  0.250  1.0
  Ba  Ba4  1  0.317  0.317  0.750  1.0
  Ba  Ba5  1  0.317  0.683  0.250  1.0
  Ba  Ba6  1  0.500  0.000  0.001  1.0
  Ba  Ba7  1  0.500  0.000  0.501  1.0
  Ba  Ba8  1  0.683  0.317  0.250  1.0
  Ba  Ba9  1  0.683  0.683  0.750  1.0
  Ba  Ba10  1  0.817  0.817  0.250  1.0
  Ba  Ba11  1  0.817  0.183  0.750  1.0
  Ge  Ge12  1  0.000  0.000  0.000  1.0
  Ge  Ge13  1  0.000  0.000  0.500  1.0
  Ge  Ge14  1  0.500  0.500  0.000  1.0
  Ge  Ge15  1  0.500  0.500  0.500  1.0
  O  O16  1  0.000  0.500  0.228  1.0
  O  O17  1  0.000  0.500  0.728  1.0
  O  O18  1  0.116  0.850  0.408  1.0
  O  O19  1  0.116  0.150  0.908  1.0
  O  O20  1  0.150  0.116  0.592  1.0
  O  O21  1  0.150  0.884  0.092  1.0
  O  O22  1  0.350  0.616  0.908  1.0
  O  O23  1  0.350  0.384  0.408  1.0
  O  O24  1  0.384  0.350  0.092  1.0
  O  O25  1  0.384  0.650  0.592  1.0
  O  O26  1  0.500  0.000  0.272  1.0
  O  O27  1  0.500  0.000  0.772  1.0
  O  O28  1  0.616  0.350  0.592  1.0
  O  O29  1  0.616  0.650  0.092  1.0
  O  O30  1  0.650  0.616  0.408  1.0
  O  O31  1  0.650  0.384  0.908  1.0
  O  O32  1  0.850  0.884  0.592  1.0
  O  O33  1  0.850  0.116  0.092  1.0
  O  O34  1  0.884  0.150  0.408  1.0
  O  O35  1  0.884  0.850  0.908  1.0
[/CIF]
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