The structure described by BaGa2B2O7 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Ga(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form corner-sharing GaO4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1) and two equivalent Ga(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1) and two equivalent B(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Ga(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ga(1) and one B(1) atom. is represented by the CIF card [CIF]
data_BaGa2B2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.384
_cell_length_b   7.384
_cell_length_c   5.927
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   107.010
_symmetry_Int_Tables_number   1
_cell_volume   309.041
_cell_formula_units_Z   2
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  0.806  0.806  0.250  1.0
  Ba  Ba1  1  0.194  0.194  0.750  1.0
  Ga  Ga2  1  0.870  0.289  0.250  1.0
  Ga  Ga3  1  0.711  0.130  0.750  1.0
  Ga  Ga4  1  0.289  0.870  0.250  1.0
  Ga  Ga5  1  0.130  0.711  0.750  1.0
  B  B6  1  0.498  0.719  0.750  1.0
  B  B7  1  0.502  0.281  0.250  1.0
  B  B8  1  0.281  0.502  0.250  1.0
  B  B9  1  0.719  0.498  0.750  1.0
  O  O10  1  0.866  0.134  0.500  1.0
  O  O11  1  0.332  0.332  0.250  1.0
  O  O12  1  0.134  0.866  0.000  1.0
  O  O13  1  0.678  0.413  0.250  1.0
  O  O14  1  0.134  0.866  0.500  1.0
  O  O15  1  0.866  0.134  0.000  1.0
  O  O16  1  0.668  0.668  0.750  1.0
  O  O17  1  0.907  0.511  0.750  1.0
  O  O18  1  0.322  0.587  0.750  1.0
  O  O19  1  0.489  0.093  0.250  1.0
  O  O20  1  0.093  0.489  0.250  1.0
  O  O21  1  0.413  0.678  0.250  1.0
  O  O22  1  0.587  0.322  0.750  1.0
  O  O23  1  0.511  0.907  0.750  1.0
[/CIF]
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The structure described by BaGa2B2O7 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Ga(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form corner-sharing GaO4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1) and two equivalent Ga(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Ba(1) and two equivalent B(1) atoms. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ba(1), one Ga(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Ga(1) and one B(1) atom. is represented by the CIF card [CIF]
data_BaGa2B2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.384
_cell_length_b   7.384
_cell_length_c   5.927
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   107.010
_symmetry_Int_Tables_number   1
_cell_volume   309.041
_cell_formula_units_Z   2
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  0.806  0.806  0.250  1.0
  Ba  Ba1  1  0.194  0.194  0.750  1.0
  Ga  Ga2  1  0.870  0.289  0.250  1.0
  Ga  Ga3  1  0.711  0.130  0.750  1.0
  Ga  Ga4  1  0.289  0.870  0.250  1.0
  Ga  Ga5  1  0.130  0.711  0.750  1.0
  B  B6  1  0.498  0.719  0.750  1.0
  B  B7  1  0.502  0.281  0.250  1.0
  B  B8  1  0.281  0.502  0.250  1.0
  B  B9  1  0.719  0.498  0.750  1.0
  O  O10  1  0.866  0.134  0.500  1.0
  O  O11  1  0.332  0.332  0.250  1.0
  O  O12  1  0.134  0.866  0.000  1.0
  O  O13  1  0.678  0.413  0.250  1.0
  O  O14  1  0.134  0.866  0.500  1.0
  O  O15  1  0.866  0.134  0.000  1.0
  O  O16  1  0.668  0.668  0.750  1.0
  O  O17  1  0.907  0.511  0.750  1.0
  O  O18  1  0.322  0.587  0.750  1.0
  O  O19  1  0.489  0.093  0.250  1.0
  O  O20  1  0.093  0.489  0.250  1.0
  O  O21  1  0.413  0.678  0.250  1.0
  O  O22  1  0.587  0.322  0.750  1.0
  O  O23  1  0.511  0.907  0.750  1.0
[/CIF]
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