The material structure described by Ca2Cd3(O7Cl5)2(O2)2 crystallizes in the triclinic P-1 space group. The structure consists of two hydrogen peroxide molecules inside a Ca2Cd3(O7Cl5)2 framework. In the Ca2Cd3(O7Cl5)2 framework, Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a square co-planar geometry to two equivalent Cl(3) and two equivalent Cl(4) atoms. In the second Cd site, Cd(2) is bonded to one Cl(1), one Cl(2), one Cl(4), one Cl(5), and two equivalent Cl(3) atoms to form distorted edge-sharing CdCl6 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Ca(1) and one O(7) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ca(1) and one Cl(5) atom. In the third O site, O(3) is bonded in a single-bond geometry to one O(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one Cl(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ca(1) and one Cl(1) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Ca(1) and one O(3) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one O(1) and one O(7) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to one Cd(2) and one O(5) atom. In the second Cl site, Cl(2) is bonded in a bent 120 degrees geometry to one Cd(2) and one O(4) atom. In the third Cl site, Cl(3) is bonded in a distorted T-shaped geometry to one Cd(1) and two equivalent Cd(2) atoms. In the fourth Cl site, Cl(4) is bonded in a water-like geometry to one Cd(1) and one Cd(2) atom. In the fifth Cl site, Cl(5) is bonded in a bent 120 degrees geometry to one Cd(2) and one O(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Cd3(Cl5O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.611
_cell_length_b   9.796
_cell_length_c   10.675
_cell_angle_alpha   111.181
_cell_angle_beta   90.253
_cell_angle_gamma   102.882
_symmetry_Int_Tables_number   1
_cell_volume   720.338
_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  0.599  0.597  0.387  1.0
  Ca  Ca1  1  0.401  0.403  0.613  1.0
  Cd  Cd2  1  0.000  0.000  0.000  1.0
  Cd  Cd3  1  0.415  0.937  0.798  1.0
  Cd  Cd4  1  0.585  0.063  0.202  1.0
  Cl  Cl5  1  0.206  0.677  0.623  1.0
  Cl  Cl6  1  0.794  0.323  0.377  1.0
  Cl  Cl7  1  0.675  0.767  0.744  1.0
  Cl  Cl8  1  0.325  0.233  0.256  1.0
  Cl  Cl9  1  0.290  0.888  0.017  1.0
  Cl  Cl10  1  0.710  0.112  0.983  1.0
  Cl  Cl11  1  0.849  0.928  0.178  1.0
  Cl  Cl12  1  0.151  0.072  0.822  1.0
  Cl  Cl13  1  0.396  0.883  0.326  1.0
  Cl  Cl14  1  0.604  0.117  0.674  1.0
  O  O15  1  0.900  0.806  0.483  1.0
  O  O16  1  0.100  0.194  0.517  1.0
  O  O17  1  0.519  0.803  0.388  1.0
  O  O18  1  0.481  0.197  0.612  1.0
  O  O19  1  0.483  0.604  0.104  1.0
  O  O20  1  0.517  0.396  0.896  1.0
  O  O21  1  0.377  0.392  0.390  1.0
  O  O22  1  0.623  0.608  0.610  1.0
  O  O23  1  0.794  0.450  0.309  1.0
  O  O24  1  0.206  0.550  0.691  1.0
  O  O25  1  0.533  0.526  0.897  1.0
  O  O26  1  0.467  0.474  0.103  1.0
  O  O27  1  0.881  0.926  0.476  1.0
  O  O28  1  0.119  0.074  0.524  1.0
  O  O29  1  0.941  0.573  0.104  1.0
  O  O30  1  0.059  0.427  0.896  1.0
  O  O31  1  0.935  0.606  0.004  1.0
  O  O32  1  0.065  0.394  0.996  1.0
[/CIF]
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The material structure described by Ca2Cd3(O7Cl5)2(O2)2 crystallizes in the triclinic P-1 space group. The structure consists of two hydrogen peroxide molecules inside a Ca2Cd3(O7Cl5)2 framework. In the Ca2Cd3(O7Cl5)2 framework, Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms. There are two inequivalent Cd sites. In the first Cd site, Cd(1) is bonded in a square co-planar geometry to two equivalent Cl(3) and two equivalent Cl(4) atoms. In the second Cd site, Cd(2) is bonded to one Cl(1), one Cl(2), one Cl(4), one Cl(5), and two equivalent Cl(3) atoms to form distorted edge-sharing CdCl6 octahedra. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Ca(1) and one O(7) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ca(1) and one Cl(5) atom. In the third O site, O(3) is bonded in a single-bond geometry to one O(6) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to two equivalent Ca(1) and one Cl(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ca(1) and one Cl(1) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Ca(1) and one O(3) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one O(1) and one O(7) atom. There are five inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a water-like geometry to one Cd(2) and one O(5) atom. In the second Cl site, Cl(2) is bonded in a bent 120 degrees geometry to one Cd(2) and one O(4) atom. In the third Cl site, Cl(3) is bonded in a distorted T-shaped geometry to one Cd(1) and two equivalent Cd(2) atoms. In the fourth Cl site, Cl(4) is bonded in a water-like geometry to one Cd(1) and one Cd(2) atom. In the fifth Cl site, Cl(5) is bonded in a bent 120 degrees geometry to one Cd(2) and one O(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Cd3(Cl5O9)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.611
_cell_length_b   9.796
_cell_length_c   10.675
_cell_angle_alpha   111.181
_cell_angle_beta   90.253
_cell_angle_gamma   102.882
_symmetry_Int_Tables_number   1
_cell_volume   720.338
_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  0.599  0.597  0.387  1.0
  Ca  Ca1  1  0.401  0.403  0.613  1.0
  Cd  Cd2  1  0.000  0.000  0.000  1.0
  Cd  Cd3  1  0.415  0.937  0.798  1.0
  Cd  Cd4  1  0.585  0.063  0.202  1.0
  Cl  Cl5  1  0.206  0.677  0.623  1.0
  Cl  Cl6  1  0.794  0.323  0.377  1.0
  Cl  Cl7  1  0.675  0.767  0.744  1.0
  Cl  Cl8  1  0.325  0.233  0.256  1.0
  Cl  Cl9  1  0.290  0.888  0.017  1.0
  Cl  Cl10  1  0.710  0.112  0.983  1.0
  Cl  Cl11  1  0.849  0.928  0.178  1.0
  Cl  Cl12  1  0.151  0.072  0.822  1.0
  Cl  Cl13  1  0.396  0.883  0.326  1.0
  Cl  Cl14  1  0.604  0.117  0.674  1.0
  O  O15  1  0.900  0.806  0.483  1.0
  O  O16  1  0.100  0.194  0.517  1.0
  O  O17  1  0.519  0.803  0.388  1.0
  O  O18  1  0.481  0.197  0.612  1.0
  O  O19  1  0.483  0.604  0.104  1.0
  O  O20  1  0.517  0.396  0.896  1.0
  O  O21  1  0.377  0.392  0.390  1.0
  O  O22  1  0.623  0.608  0.610  1.0
  O  O23  1  0.794  0.450  0.309  1.0
  O  O24  1  0.206  0.550  0.691  1.0
  O  O25  1  0.533  0.526  0.897  1.0
  O  O26  1  0.467  0.474  0.103  1.0
  O  O27  1  0.881  0.926  0.476  1.0
  O  O28  1  0.119  0.074  0.524  1.0
  O  O29  1  0.941  0.573  0.104  1.0
  O  O30  1  0.059  0.427  0.896  1.0
  O  O31  1  0.935  0.606  0.004  1.0
  O  O32  1  0.065  0.394  0.996  1.0
[/CIF]
.