The compound 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 in a 5-coordinate geometry to one O(2), one Br(10), one Br(12), one Br(6), and one Br(7) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded in a distorted trigonal non-coplanar geometry to one O(3), one Br(12), and one Br(5) atom. In the second P site, P(2) is bonded in a distorted tetrahedral geometry to one O(1), one Br(1), one Br(6), and one Br(7) atom. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(2), one Br(4), one Br(8), and one Br(9) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(2) atom. In the second O site, O(2) is bonded in a linear geometry to one Ca(1) and one P(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one P(1) atom. There are nine inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one P(2) atom. In the second Br site, Br(4) is bonded in a single-bond geometry to one P(3) atom. In the third Br site, Br(5) is bonded in a single-bond geometry to one P(1) atom. In the fourth Br site, Br(6) is bonded in an L-shaped geometry to one Ca(1) and one P(2) atom. In the fifth Br site, Br(7) is bonded in a distorted L-shaped geometry to one Ca(1) and one P(2) atom. In the sixth Br site, Br(8) is bonded in a single-bond geometry to one P(3) atom. In the seventh Br site, Br(9) is bonded in a single-bond geometry to one P(3) atom. In the eighth Br site, Br(10) is bonded in a single-bond geometry to one Ca(1) atom. In the ninth Br site, Br(12) is bonded in a water-like geometry to one Ca(1) and 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   6.821
_cell_length_b   11.870
_cell_length_c   10.491
_cell_angle_alpha   88.023
_cell_angle_beta   79.637
_cell_angle_gamma   77.652
_symmetry_Int_Tables_number   1
_cell_volume   816.238
_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  0.819  0.426  0.959  1.0
  P  P1  1  0.379  0.295  0.268  1.0
  P  P2  1  0.631  0.696  0.730  1.0
  P  P3  1  0.822  0.162  0.778  1.0
  P  P4  1  0.097  0.824  0.247  1.0
  Br  Br5  1  0.807  0.637  0.541  1.0
  Br  Br6  1  0.857  0.981  0.267  1.0
  Br  Br7  1  0.282  0.838  0.395  1.0
  Br  Br8  1  0.652  0.060  0.915  1.0
  Br  Br9  1  0.261  0.354  0.487  1.0
  Br  Br10  1  0.867  0.677  0.862  1.0
  Br  Br11  1  0.461  0.558  0.811  1.0
  Br  Br12  1  0.682  0.183  0.606  1.0
  Br  Br13  1  0.129  0.056  0.727  1.0
  Br  Br14  1  0.233  0.381  0.948  1.0
  Br  Br15  1  0.297  0.847  0.061  1.0
  Br  Br16  1  0.623  0.448  0.214  1.0
  O  O17  1  0.505  0.814  0.734  1.0
  O  O18  1  0.821  0.275  0.835  1.0
  O  O19  1  0.523  0.181  0.269  1.0
  O  O20  1  0.023  0.715  0.252  1.0
[/CIF]
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The compound 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 in a 5-coordinate geometry to one O(2), one Br(10), one Br(12), one Br(6), and one Br(7) atom. There are three inequivalent P sites. In the first P site, P(1) is bonded in a distorted trigonal non-coplanar geometry to one O(3), one Br(12), and one Br(5) atom. In the second P site, P(2) is bonded in a distorted tetrahedral geometry to one O(1), one Br(1), one Br(6), and one Br(7) atom. In the third P site, P(3) is bonded in a tetrahedral geometry to one O(2), one Br(4), one Br(8), and one Br(9) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(2) atom. In the second O site, O(2) is bonded in a linear geometry to one Ca(1) and one P(3) atom. In the third O site, O(3) is bonded in a single-bond geometry to one P(1) atom. There are nine inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one P(2) atom. In the second Br site, Br(4) is bonded in a single-bond geometry to one P(3) atom. In the third Br site, Br(5) is bonded in a single-bond geometry to one P(1) atom. In the fourth Br site, Br(6) is bonded in an L-shaped geometry to one Ca(1) and one P(2) atom. In the fifth Br site, Br(7) is bonded in a distorted L-shaped geometry to one Ca(1) and one P(2) atom. In the sixth Br site, Br(8) is bonded in a single-bond geometry to one P(3) atom. In the seventh Br site, Br(9) is bonded in a single-bond geometry to one P(3) atom. In the eighth Br site, Br(10) is bonded in a single-bond geometry to one Ca(1) atom. In the ninth Br site, Br(12) is bonded in a water-like geometry to one Ca(1) and 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   6.821
_cell_length_b   11.870
_cell_length_c   10.491
_cell_angle_alpha   88.023
_cell_angle_beta   79.637
_cell_angle_gamma   77.652
_symmetry_Int_Tables_number   1
_cell_volume   816.238
_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  0.819  0.426  0.959  1.0
  P  P1  1  0.379  0.295  0.268  1.0
  P  P2  1  0.631  0.696  0.730  1.0
  P  P3  1  0.822  0.162  0.778  1.0
  P  P4  1  0.097  0.824  0.247  1.0
  Br  Br5  1  0.807  0.637  0.541  1.0
  Br  Br6  1  0.857  0.981  0.267  1.0
  Br  Br7  1  0.282  0.838  0.395  1.0
  Br  Br8  1  0.652  0.060  0.915  1.0
  Br  Br9  1  0.261  0.354  0.487  1.0
  Br  Br10  1  0.867  0.677  0.862  1.0
  Br  Br11  1  0.461  0.558  0.811  1.0
  Br  Br12  1  0.682  0.183  0.606  1.0
  Br  Br13  1  0.129  0.056  0.727  1.0
  Br  Br14  1  0.233  0.381  0.948  1.0
  Br  Br15  1  0.297  0.847  0.061  1.0
  Br  Br16  1  0.623  0.448  0.214  1.0
  O  O17  1  0.505  0.814  0.734  1.0
  O  O18  1  0.821  0.275  0.835  1.0
  O  O19  1  0.523  0.181  0.269  1.0
  O  O20  1  0.023  0.715  0.252  1.0
[/CIF]
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