The material described by In2BP3O12 crystallizes in the hexagonal P6_3/m space group. In(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form InO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one In(1)O6 octahedra. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one B(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent In(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one In(1) and one P(1) atom. is represented by the CIF card [CIF]
data_In2B(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.303
_cell_length_b   8.303
_cell_length_c   7.899
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   471.549
_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
  In  In0  1  0.667  0.333  0.544  1.0
  In  In1  1  0.333  0.667  0.044  1.0
  In  In2  1  0.333  0.667  0.456  1.0
  In  In3  1  0.667  0.333  0.956  1.0
  B  B4  1  0.000  0.000  0.750  1.0
  B  B5  1  0.000  0.000  0.250  1.0
  P  P6  1  0.042  0.351  0.750  1.0
  P  P7  1  0.649  0.691  0.750  1.0
  P  P8  1  0.309  0.958  0.750  1.0
  P  P9  1  0.958  0.649  0.250  1.0
  P  P10  1  0.351  0.309  0.250  1.0
  P  P11  1  0.691  0.042  0.250  1.0
  O  O12  1  0.941  0.127  0.750  1.0
  O  O13  1  0.873  0.813  0.750  1.0
  O  O14  1  0.187  0.059  0.750  1.0
  O  O15  1  0.059  0.873  0.250  1.0
  O  O16  1  0.127  0.187  0.250  1.0
  O  O17  1  0.813  0.941  0.250  1.0
  O  O18  1  0.875  0.388  0.750  1.0
  O  O19  1  0.612  0.487  0.750  1.0
  O  O20  1  0.513  0.125  0.750  1.0
  O  O21  1  0.125  0.612  0.250  1.0
  O  O22  1  0.388  0.513  0.250  1.0
  O  O23  1  0.487  0.875  0.250  1.0
  O  O24  1  0.153  0.420  0.587  1.0
  O  O25  1  0.580  0.734  0.587  1.0
  O  O26  1  0.266  0.847  0.587  1.0
  O  O27  1  0.847  0.580  0.087  1.0
  O  O28  1  0.420  0.266  0.087  1.0
  O  O29  1  0.734  0.153  0.087  1.0
  O  O30  1  0.847  0.580  0.413  1.0
  O  O31  1  0.420  0.266  0.413  1.0
  O  O32  1  0.734  0.153  0.413  1.0
  O  O33  1  0.153  0.420  0.913  1.0
  O  O34  1  0.580  0.734  0.913  1.0
  O  O35  1  0.266  0.847  0.913  1.0
[/CIF]
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The material described by In2BP3O12 crystallizes in the hexagonal P6_3/m space group. In(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form InO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one In(1)O6 octahedra. B(1) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-51°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one B(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent In(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one In(1) and one P(1) atom. is represented by the CIF card [CIF]
data_In2B(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.303
_cell_length_b   8.303
_cell_length_c   7.899
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   471.549
_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
  In  In0  1  0.667  0.333  0.544  1.0
  In  In1  1  0.333  0.667  0.044  1.0
  In  In2  1  0.333  0.667  0.456  1.0
  In  In3  1  0.667  0.333  0.956  1.0
  B  B4  1  0.000  0.000  0.750  1.0
  B  B5  1  0.000  0.000  0.250  1.0
  P  P6  1  0.042  0.351  0.750  1.0
  P  P7  1  0.649  0.691  0.750  1.0
  P  P8  1  0.309  0.958  0.750  1.0
  P  P9  1  0.958  0.649  0.250  1.0
  P  P10  1  0.351  0.309  0.250  1.0
  P  P11  1  0.691  0.042  0.250  1.0
  O  O12  1  0.941  0.127  0.750  1.0
  O  O13  1  0.873  0.813  0.750  1.0
  O  O14  1  0.187  0.059  0.750  1.0
  O  O15  1  0.059  0.873  0.250  1.0
  O  O16  1  0.127  0.187  0.250  1.0
  O  O17  1  0.813  0.941  0.250  1.0
  O  O18  1  0.875  0.388  0.750  1.0
  O  O19  1  0.612  0.487  0.750  1.0
  O  O20  1  0.513  0.125  0.750  1.0
  O  O21  1  0.125  0.612  0.250  1.0
  O  O22  1  0.388  0.513  0.250  1.0
  O  O23  1  0.487  0.875  0.250  1.0
  O  O24  1  0.153  0.420  0.587  1.0
  O  O25  1  0.580  0.734  0.587  1.0
  O  O26  1  0.266  0.847  0.587  1.0
  O  O27  1  0.847  0.580  0.087  1.0
  O  O28  1  0.420  0.266  0.087  1.0
  O  O29  1  0.734  0.153  0.087  1.0
  O  O30  1  0.847  0.580  0.413  1.0
  O  O31  1  0.420  0.266  0.413  1.0
  O  O32  1  0.734  0.153  0.413  1.0
  O  O33  1  0.153  0.420  0.913  1.0
  O  O34  1  0.580  0.734  0.913  1.0
  O  O35  1  0.266  0.847  0.913  1.0
[/CIF]
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