The material structure described by Cs2Cr4Cd(HO4)4 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 12-coordinate geometry to one H(1), one O(2), one O(4), one O(5), one O(6), one O(7), two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form CrO4 tetrahedra that share  a cornercorner with one Cd(1)O6 octahedra and  a cornercorner with one Cr(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. In the second Cr site, Cr(2) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form CrO4 tetrahedra that share  a cornercorner with one Cd(1)O6 octahedra and  a cornercorner with one Cr(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. Cd(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form CdO6 octahedra that share corners with two equivalent Cr(1)O4 tetrahedra and corners with two equivalent Cr(2)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Cs(1) and one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Cs(1) and one Cr(2) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Cs(1), one Cd(1), one H(1), and one H(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to two equivalent Cs(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cs(1), one Cr(1), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cr(1), and one Cd(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cs(1) and one Cr(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Cs(1), one Cr(2), and one Cd(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to two equivalent Cs(1) and one Cr(2) atom. is represented by the CIF card [CIF]
data_Cs2Cr4Cd(HO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.710
_cell_length_b   8.133
_cell_length_c   8.171
_cell_angle_alpha   91.147
_cell_angle_beta   116.904
_cell_angle_gamma   98.540
_symmetry_Int_Tables_number   1
_cell_volume   449.652
_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
  Cs  Cs0  1  0.732  0.828  0.259  1.0
  Cs  Cs1  1  0.268  0.172  0.741  1.0
  Cr  Cr2  1  0.264  0.675  0.498  1.0
  Cr  Cr3  1  0.736  0.325  0.502  1.0
  Cr  Cr4  1  0.715  0.845  0.770  1.0
  Cr  Cr5  1  0.285  0.155  0.230  1.0
  Cd  Cd6  1  0.000  0.500  0.000  1.0
  H  H7  1  0.762  0.194  0.992  1.0
  H  H8  1  0.813  0.288  0.182  1.0
  H  H9  1  0.187  0.712  0.818  1.0
  H  H10  1  0.238  0.806  0.008  1.0
  O  O11  1  0.896  0.924  0.731  1.0
  O  O12  1  0.104  0.076  0.269  1.0
  O  O13  1  0.780  0.307  0.052  1.0
  O  O14  1  0.828  0.222  0.394  1.0
  O  O15  1  0.496  0.216  0.450  1.0
  O  O16  1  0.881  0.339  0.727  1.0
  O  O17  1  0.717  0.508  0.430  1.0
  O  O18  1  0.172  0.778  0.606  1.0
  O  O19  1  0.504  0.784  0.550  1.0
  O  O20  1  0.767  0.682  0.890  1.0
  O  O21  1  0.119  0.661  0.273  1.0
  O  O22  1  0.332  0.015  0.114  1.0
  O  O23  1  0.668  0.985  0.886  1.0
  O  O24  1  0.220  0.693  0.948  1.0
  O  O25  1  0.283  0.492  0.570  1.0
  O  O26  1  0.233  0.318  0.110  1.0
[/CIF]
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The material structure described by Cs2Cr4Cd(HO4)4 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 12-coordinate geometry to one H(1), one O(2), one O(4), one O(5), one O(6), one O(7), two equivalent O(1), two equivalent O(3), and two equivalent O(8) atoms. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form CrO4 tetrahedra that share  a cornercorner with one Cd(1)O6 octahedra and  a cornercorner with one Cr(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. In the second Cr site, Cr(2) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form CrO4 tetrahedra that share  a cornercorner with one Cd(1)O6 octahedra and  a cornercorner with one Cr(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 38°. Cd(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form CdO6 octahedra that share corners with two equivalent Cr(1)O4 tetrahedra and corners with two equivalent Cr(2)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Cs(1) and one O(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to two equivalent Cs(1) and one Cr(2) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Cs(1), one Cd(1), one H(1), and one H(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to two equivalent Cs(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cs(1), one Cr(1), and one Cr(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Cr(1), and one Cd(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cs(1) and one Cr(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Cs(1), one Cr(2), and one Cd(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to two equivalent Cs(1) and one Cr(2) atom. is represented by the CIF card [CIF]
data_Cs2Cr4Cd(HO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.710
_cell_length_b   8.133
_cell_length_c   8.171
_cell_angle_alpha   91.147
_cell_angle_beta   116.904
_cell_angle_gamma   98.540
_symmetry_Int_Tables_number   1
_cell_volume   449.652
_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
  Cs  Cs0  1  0.732  0.828  0.259  1.0
  Cs  Cs1  1  0.268  0.172  0.741  1.0
  Cr  Cr2  1  0.264  0.675  0.498  1.0
  Cr  Cr3  1  0.736  0.325  0.502  1.0
  Cr  Cr4  1  0.715  0.845  0.770  1.0
  Cr  Cr5  1  0.285  0.155  0.230  1.0
  Cd  Cd6  1  0.000  0.500  0.000  1.0
  H  H7  1  0.762  0.194  0.992  1.0
  H  H8  1  0.813  0.288  0.182  1.0
  H  H9  1  0.187  0.712  0.818  1.0
  H  H10  1  0.238  0.806  0.008  1.0
  O  O11  1  0.896  0.924  0.731  1.0
  O  O12  1  0.104  0.076  0.269  1.0
  O  O13  1  0.780  0.307  0.052  1.0
  O  O14  1  0.828  0.222  0.394  1.0
  O  O15  1  0.496  0.216  0.450  1.0
  O  O16  1  0.881  0.339  0.727  1.0
  O  O17  1  0.717  0.508  0.430  1.0
  O  O18  1  0.172  0.778  0.606  1.0
  O  O19  1  0.504  0.784  0.550  1.0
  O  O20  1  0.767  0.682  0.890  1.0
  O  O21  1  0.119  0.661  0.273  1.0
  O  O22  1  0.332  0.015  0.114  1.0
  O  O23  1  0.668  0.985  0.886  1.0
  O  O24  1  0.220  0.693  0.948  1.0
  O  O25  1  0.283  0.492  0.570  1.0
  O  O26  1  0.233  0.318  0.110  1.0
[/CIF]
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