The structure described by Ba2B(PO4)2 crystallizes in the tetragonal I-42d space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. B(1) is bonded to four equivalent O(1) atoms to form BO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one B(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Ba2B(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.982
_cell_length_b   8.982
_cell_length_c   8.982
_cell_angle_alpha   131.702
_cell_angle_beta   131.702
_cell_angle_gamma   70.700
_symmetry_Int_Tables_number   1
_cell_volume   395.686
_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  0.253  0.625  0.128  1.0
  Ba  Ba1  1  0.497  0.125  0.872  1.0
  Ba  Ba2  1  0.375  0.503  0.628  1.0
  Ba  Ba3  1  0.875  0.747  0.372  1.0
  B  B4  1  0.750  0.250  0.500  1.0
  B  B5  1  0.000  0.000  0.000  1.0
  P  P6  1  0.725  0.625  0.600  1.0
  P  P7  1  0.025  0.125  0.400  1.0
  P  P8  1  0.375  0.975  0.100  1.0
  P  P9  1  0.875  0.275  0.900  1.0
  O  O10  1  0.800  0.471  0.658  1.0
  O  O11  1  0.813  0.142  0.342  1.0
  O  O12  1  0.529  0.187  0.329  1.0
  O  O13  1  0.950  0.108  0.171  1.0
  O  O14  1  0.858  0.200  0.671  1.0
  O  O15  1  0.937  0.779  0.829  1.0
  O  O16  1  0.221  0.050  0.158  1.0
  O  O17  1  0.892  0.063  0.842  1.0
  O  O18  1  0.658  0.535  0.342  1.0
  O  O19  1  0.192  0.315  0.658  1.0
  O  O20  1  0.465  0.808  0.123  1.0
  O  O21  1  0.092  0.935  0.377  1.0
  O  O22  1  0.685  0.342  0.877  1.0
  O  O23  1  0.558  0.715  0.623  1.0
  O  O24  1  0.285  0.908  0.842  1.0
  O  O25  1  0.065  0.442  0.158  1.0
[/CIF]
.
The structure described by Ba2B(PO4)2 crystallizes in the tetragonal I-42d space group. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. B(1) is bonded to four equivalent O(1) atoms to form BO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent B(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one B(1), and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Ba2B(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.982
_cell_length_b   8.982
_cell_length_c   8.982
_cell_angle_alpha   131.702
_cell_angle_beta   131.702
_cell_angle_gamma   70.700
_symmetry_Int_Tables_number   1
_cell_volume   395.686
_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  0.253  0.625  0.128  1.0
  Ba  Ba1  1  0.497  0.125  0.872  1.0
  Ba  Ba2  1  0.375  0.503  0.628  1.0
  Ba  Ba3  1  0.875  0.747  0.372  1.0
  B  B4  1  0.750  0.250  0.500  1.0
  B  B5  1  0.000  0.000  0.000  1.0
  P  P6  1  0.725  0.625  0.600  1.0
  P  P7  1  0.025  0.125  0.400  1.0
  P  P8  1  0.375  0.975  0.100  1.0
  P  P9  1  0.875  0.275  0.900  1.0
  O  O10  1  0.800  0.471  0.658  1.0
  O  O11  1  0.813  0.142  0.342  1.0
  O  O12  1  0.529  0.187  0.329  1.0
  O  O13  1  0.950  0.108  0.171  1.0
  O  O14  1  0.858  0.200  0.671  1.0
  O  O15  1  0.937  0.779  0.829  1.0
  O  O16  1  0.221  0.050  0.158  1.0
  O  O17  1  0.892  0.063  0.842  1.0
  O  O18  1  0.658  0.535  0.342  1.0
  O  O19  1  0.192  0.315  0.658  1.0
  O  O20  1  0.465  0.808  0.123  1.0
  O  O21  1  0.092  0.935  0.377  1.0
  O  O22  1  0.685  0.342  0.877  1.0
  O  O23  1  0.558  0.715  0.623  1.0
  O  O24  1  0.285  0.908  0.842  1.0
  O  O25  1  0.065  0.442  0.158  1.0
[/CIF]
.