The material described by CaP3(OBr3)3POBr3 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one phosphorus oxybromide molecule and one CaP3(OBr3)3 cluster. In the CaP3(OBr3)3 cluster, Ca(1) is bonded to one O(3), one Br(11), one Br(2), one Br(4), and one Br(9) atom to form distorted CaBr4O trigonal bipyramids that share  a cornercorner with one P(1)Br3O tetrahedra,  an edgeedge with one P(3)Br3O tetrahedra, and  an edgeedge with one P(4)Br3O tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one Br(10), one Br(12), and one Br(5) atom to form PBr3O tetrahedra that share  a cornercorner with one Ca(1)Br4O trigonal bipyramid. In the second P site, P(3) is bonded to one O(2), one Br(4), one Br(8), and one Br(9) atom to form distorted PBr3O tetrahedra that share  an edgeedge with one Ca(1)Br4O trigonal bipyramid. In the third P site, P(4) is bonded to one O(4), one Br(11), one Br(2), and one Br(3) atom to form distorted PBr3O tetrahedra that share  an edgeedge with one Ca(1)Br4O trigonal bipyramid. There are three inequivalent O sites. In the first O site, O(2) is bonded in a single-bond geometry to one P(3) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one P(1) atom. In the third O site, O(4) is bonded in a single-bond geometry to one P(4) atom. There are nine inequivalent Br sites. In the first Br site, Br(2) is bonded in an L-shaped geometry to one Ca(1) and one P(4) atom. In the second Br site, Br(3) is bonded in a single-bond geometry to one P(4) atom. In the third Br site, Br(4) is bonded in an L-shaped geometry to one Ca(1) and one P(3) atom. In the fourth Br site, Br(5) is bonded in a single-bond geometry to one P(1) atom. In the fifth Br site, Br(8) is bonded in a single-bond geometry to one P(3) atom. In the sixth Br site, Br(9) is bonded in an L-shaped geometry to one Ca(1) and one P(3) atom. In the seventh Br site, Br(10) is bonded in a single-bond geometry to one P(1) atom. In the eighth Br site, Br(11) is bonded in an L-shaped geometry to one Ca(1) and one P(4) atom. In the ninth Br site, Br(12) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF card [CIF]
data_CaP4(Br3O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.729
_cell_length_b   11.115
_cell_length_c   10.956
_cell_angle_alpha   91.347
_cell_angle_beta   94.945
_cell_angle_gamma   100.324
_symmetry_Int_Tables_number   1
_cell_volume   802.521
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.134  0.050  0.039  1.0
  P  P1  1  0.332  0.339  0.208  1.0
  P  P2  1  0.606  0.686  0.743  1.0
  P  P3  1  0.911  0.189  0.750  1.0
  P  P4  1  0.115  0.792  0.264  1.0
  Br  Br5  1  0.794  0.654  0.595  1.0
  Br  Br6  1  0.912  0.955  0.247  1.0
  Br  Br7  1  0.301  0.826  0.451  1.0
  Br  Br8  1  0.767  0.141  0.966  1.0
  Br  Br9  1  0.198  0.331  0.383  1.0
  Br  Br10  1  0.803  0.672  0.913  1.0
  Br  Br11  1  0.366  0.523  0.738  1.0
  Br  Br12  1  0.734  0.126  0.562  1.0
  Br  Br13  1  0.170  0.062  0.773  1.0
  Br  Br14  1  0.168  0.449  0.089  1.0
  Br  Br15  1  0.322  0.841  0.070  1.0
  Br  Br16  1  0.637  0.444  0.243  1.0
  O  O17  1  0.532  0.803  0.737  1.0
  O  O18  1  0.009  0.319  0.751  1.0
  O  O19  1  0.322  0.214  0.152  1.0
  O  O20  1  0.981  0.670  0.251  1.0
[/CIF]
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The material described by CaP3(OBr3)3POBr3 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one phosphorus oxybromide molecule and one CaP3(OBr3)3 cluster. In the CaP3(OBr3)3 cluster, Ca(1) is bonded to one O(3), one Br(11), one Br(2), one Br(4), and one Br(9) atom to form distorted CaBr4O trigonal bipyramids that share  a cornercorner with one P(1)Br3O tetrahedra,  an edgeedge with one P(3)Br3O tetrahedra, and  an edgeedge with one P(4)Br3O tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one Br(10), one Br(12), and one Br(5) atom to form PBr3O tetrahedra that share  a cornercorner with one Ca(1)Br4O trigonal bipyramid. In the second P site, P(3) is bonded to one O(2), one Br(4), one Br(8), and one Br(9) atom to form distorted PBr3O tetrahedra that share  an edgeedge with one Ca(1)Br4O trigonal bipyramid. In the third P site, P(4) is bonded to one O(4), one Br(11), one Br(2), and one Br(3) atom to form distorted PBr3O tetrahedra that share  an edgeedge with one Ca(1)Br4O trigonal bipyramid. There are three inequivalent O sites. In the first O site, O(2) is bonded in a single-bond geometry to one P(3) atom. In the second O site, O(3) is bonded in a bent 150 degrees geometry to one Ca(1) and one P(1) atom. In the third O site, O(4) is bonded in a single-bond geometry to one P(4) atom. There are nine inequivalent Br sites. In the first Br site, Br(2) is bonded in an L-shaped geometry to one Ca(1) and one P(4) atom. In the second Br site, Br(3) is bonded in a single-bond geometry to one P(4) atom. In the third Br site, Br(4) is bonded in an L-shaped geometry to one Ca(1) and one P(3) atom. In the fourth Br site, Br(5) is bonded in a single-bond geometry to one P(1) atom. In the fifth Br site, Br(8) is bonded in a single-bond geometry to one P(3) atom. In the sixth Br site, Br(9) is bonded in an L-shaped geometry to one Ca(1) and one P(3) atom. In the seventh Br site, Br(10) is bonded in a single-bond geometry to one P(1) atom. In the eighth Br site, Br(11) is bonded in an L-shaped geometry to one Ca(1) and one P(4) atom. In the ninth Br site, Br(12) is bonded in a single-bond geometry to one P(1) atom. is represented by the CIF card [CIF]
data_CaP4(Br3O)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.729
_cell_length_b   11.115
_cell_length_c   10.956
_cell_angle_alpha   91.347
_cell_angle_beta   94.945
_cell_angle_gamma   100.324
_symmetry_Int_Tables_number   1
_cell_volume   802.521
_cell_formula_units_Z   1
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
  Ca  Ca0  1  0.134  0.050  0.039  1.0
  P  P1  1  0.332  0.339  0.208  1.0
  P  P2  1  0.606  0.686  0.743  1.0
  P  P3  1  0.911  0.189  0.750  1.0
  P  P4  1  0.115  0.792  0.264  1.0
  Br  Br5  1  0.794  0.654  0.595  1.0
  Br  Br6  1  0.912  0.955  0.247  1.0
  Br  Br7  1  0.301  0.826  0.451  1.0
  Br  Br8  1  0.767  0.141  0.966  1.0
  Br  Br9  1  0.198  0.331  0.383  1.0
  Br  Br10  1  0.803  0.672  0.913  1.0
  Br  Br11  1  0.366  0.523  0.738  1.0
  Br  Br12  1  0.734  0.126  0.562  1.0
  Br  Br13  1  0.170  0.062  0.773  1.0
  Br  Br14  1  0.168  0.449  0.089  1.0
  Br  Br15  1  0.322  0.841  0.070  1.0
  Br  Br16  1  0.637  0.444  0.243  1.0
  O  O17  1  0.532  0.803  0.737  1.0
  O  O18  1  0.009  0.319  0.751  1.0
  O  O19  1  0.322  0.214  0.152  1.0
  O  O20  1  0.981  0.670  0.251  1.0
[/CIF]
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