The crystal structure described by Ba3In2P4O16 crystallizes in the monoclinic P2_1/c 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(2), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(8), two equivalent O(3), and two equivalent O(6) atoms. In(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form InO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Ba(2), one In(1), and one P(2) atom. In the second O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Ba(2), one In(1), and one P(2) atom. In the third O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one In(1), and one P(2) atom. In the fourth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one P(2) atom. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one Ba(2), one In(1), and one P(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one In(1), and one P(1) atom. In the seventh O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one P(1) atom. In the eighth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one In(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3In2(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.802
_cell_length_b   9.075
_cell_length_c   9.302
_cell_angle_alpha   64.806
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   748.766
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.000  0.500  1.0
  Ba  Ba2  1  0.676  0.272  0.054  1.0
  Ba  Ba3  1  0.176  0.728  0.446  1.0
  Ba  Ba4  1  0.324  0.728  0.946  1.0
  Ba  Ba5  1  0.824  0.272  0.554  1.0
  In  In6  1  0.127  0.258  0.242  1.0
  In  In7  1  0.627  0.742  0.258  1.0
  In  In8  1  0.873  0.742  0.758  1.0
  In  In9  1  0.373  0.258  0.742  1.0
  P  P10  1  0.361  0.030  0.145  1.0
  P  P11  1  0.861  0.970  0.355  1.0
  P  P12  1  0.639  0.970  0.855  1.0
  P  P13  1  0.139  0.030  0.645  1.0
  P  P14  1  0.914  0.584  0.185  1.0
  P  P15  1  0.414  0.416  0.315  1.0
  P  P16  1  0.086  0.416  0.815  1.0
  P  P17  1  0.586  0.584  0.685  1.0
  O  O18  1  0.410  0.180  0.996  1.0
  O  O19  1  0.910  0.820  0.504  1.0
  O  O20  1  0.590  0.820  0.004  1.0
  O  O21  1  0.090  0.180  0.496  1.0
  O  O22  1  0.493  0.942  0.238  1.0
  O  O23  1  0.993  0.058  0.262  1.0
  O  O24  1  0.507  0.058  0.762  1.0
  O  O25  1  0.007  0.942  0.738  1.0
  O  O26  1  0.269  0.913  0.110  1.0
  O  O27  1  0.769  0.087  0.390  1.0
  O  O28  1  0.731  0.087  0.890  1.0
  O  O29  1  0.231  0.913  0.610  1.0
  O  O30  1  0.287  0.078  0.268  1.0
  O  O31  1  0.787  0.922  0.232  1.0
  O  O32  1  0.713  0.922  0.732  1.0
  O  O33  1  0.213  0.078  0.768  1.0
  O  O34  1  0.784  0.566  0.291  1.0
  O  O35  1  0.284  0.434  0.209  1.0
  O  O36  1  0.216  0.434  0.709  1.0
  O  O37  1  0.716  0.566  0.791  1.0
  O  O38  1  0.945  0.405  0.215  1.0
  O  O39  1  0.445  0.595  0.285  1.0
  O  O40  1  0.055  0.595  0.785  1.0
  O  O41  1  0.555  0.405  0.715  1.0
  O  O42  1  0.879  0.692  0.009  1.0
  O  O43  1  0.379  0.308  0.491  1.0
  O  O44  1  0.121  0.308  0.991  1.0
  O  O45  1  0.621  0.692  0.509  1.0
  O  O46  1  0.032  0.665  0.234  1.0
  O  O47  1  0.532  0.335  0.266  1.0
  O  O48  1  0.968  0.335  0.766  1.0
  O  O49  1  0.468  0.665  0.734  1.0
[/CIF]
.
The crystal structure described by Ba3In2P4O16 crystallizes in the monoclinic P2_1/c 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(2), two equivalent O(3), two equivalent O(4), two equivalent O(7), and two equivalent O(8) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(8), two equivalent O(3), and two equivalent O(6) atoms. In(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form InO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-48°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-52°. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Ba(2), one In(1), and one P(2) atom. In the second O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Ba(2), one In(1), and one P(2) atom. In the third O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one In(1), and one P(2) atom. In the fourth O site, O(8) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(2), and one P(2) atom. In the fifth O site, O(1) is bonded in a 3-coordinate geometry to one Ba(2), one In(1), and one P(1) atom. In the sixth O site, O(2) is bonded in a 3-coordinate geometry to one Ba(1), one Ba(2), one In(1), and one P(1) atom. In the seventh O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1), two equivalent Ba(2), and one P(1) atom. In the eighth O site, O(4) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), one In(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba3In2(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.802
_cell_length_b   9.075
_cell_length_c   9.302
_cell_angle_alpha   64.806
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   748.766
_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  0.000  0.000  0.000  1.0
  Ba  Ba1  1  0.500  0.000  0.500  1.0
  Ba  Ba2  1  0.676  0.272  0.054  1.0
  Ba  Ba3  1  0.176  0.728  0.446  1.0
  Ba  Ba4  1  0.324  0.728  0.946  1.0
  Ba  Ba5  1  0.824  0.272  0.554  1.0
  In  In6  1  0.127  0.258  0.242  1.0
  In  In7  1  0.627  0.742  0.258  1.0
  In  In8  1  0.873  0.742  0.758  1.0
  In  In9  1  0.373  0.258  0.742  1.0
  P  P10  1  0.361  0.030  0.145  1.0
  P  P11  1  0.861  0.970  0.355  1.0
  P  P12  1  0.639  0.970  0.855  1.0
  P  P13  1  0.139  0.030  0.645  1.0
  P  P14  1  0.914  0.584  0.185  1.0
  P  P15  1  0.414  0.416  0.315  1.0
  P  P16  1  0.086  0.416  0.815  1.0
  P  P17  1  0.586  0.584  0.685  1.0
  O  O18  1  0.410  0.180  0.996  1.0
  O  O19  1  0.910  0.820  0.504  1.0
  O  O20  1  0.590  0.820  0.004  1.0
  O  O21  1  0.090  0.180  0.496  1.0
  O  O22  1  0.493  0.942  0.238  1.0
  O  O23  1  0.993  0.058  0.262  1.0
  O  O24  1  0.507  0.058  0.762  1.0
  O  O25  1  0.007  0.942  0.738  1.0
  O  O26  1  0.269  0.913  0.110  1.0
  O  O27  1  0.769  0.087  0.390  1.0
  O  O28  1  0.731  0.087  0.890  1.0
  O  O29  1  0.231  0.913  0.610  1.0
  O  O30  1  0.287  0.078  0.268  1.0
  O  O31  1  0.787  0.922  0.232  1.0
  O  O32  1  0.713  0.922  0.732  1.0
  O  O33  1  0.213  0.078  0.768  1.0
  O  O34  1  0.784  0.566  0.291  1.0
  O  O35  1  0.284  0.434  0.209  1.0
  O  O36  1  0.216  0.434  0.709  1.0
  O  O37  1  0.716  0.566  0.791  1.0
  O  O38  1  0.945  0.405  0.215  1.0
  O  O39  1  0.445  0.595  0.285  1.0
  O  O40  1  0.055  0.595  0.785  1.0
  O  O41  1  0.555  0.405  0.715  1.0
  O  O42  1  0.879  0.692  0.009  1.0
  O  O43  1  0.379  0.308  0.491  1.0
  O  O44  1  0.121  0.308  0.991  1.0
  O  O45  1  0.621  0.692  0.509  1.0
  O  O46  1  0.032  0.665  0.234  1.0
  O  O47  1  0.532  0.335  0.266  1.0
  O  O48  1  0.968  0.335  0.766  1.0
  O  O49  1  0.468  0.665  0.734  1.0
[/CIF]
.