The material described by CsCrO8(NH4)2 crystallizes in the tetragonal I-42m space group. The structure consists of four ammonium molecules inside a CsCrO8 framework. In the CsCrO8 framework, Cs(1) is bonded to four equivalent O(1) and four equivalent O(2) atoms to form distorted CsO8 hexagonal bipyramids that share corners with four equivalent Cr(1)O8 hexagonal bipyramids and edges with two equivalent Cr(1)O8 hexagonal bipyramids. Cr(1) is bonded to four equivalent O(1) and four equivalent O(2) atoms to form distorted CrO8 hexagonal bipyramids that share corners with four equivalent Cs(1)O8 hexagonal bipyramids and edges with two equivalent Cs(1)O8 hexagonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cs(1), one Cr(1), and one O(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cs(1), one Cr(1), and one O(1) atom. is represented by the CIF card [CIF]
data_CsCrH8(NO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.596
_cell_length_b   6.596
_cell_length_c   6.596
_cell_angle_alpha   99.606
_cell_angle_beta   114.618
_cell_angle_gamma   114.618
_symmetry_Int_Tables_number   1
_cell_volume   216.120
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.000  0.500  0.500  1.0
  H  H2  1  0.627  0.302  0.688  1.0
  H  H3  1  0.373  0.061  0.676  1.0
  H  H4  1  0.386  0.698  0.324  1.0
  H  H5  1  0.614  0.939  0.312  1.0
  H  H6  1  0.614  0.312  0.939  1.0
  H  H7  1  0.386  0.324  0.698  1.0
  H  H8  1  0.627  0.688  0.302  1.0
  H  H9  1  0.373  0.676  0.061  1.0
  N  N10  1  0.500  0.250  0.750  1.0
  N  N11  1  0.500  0.750  0.250  1.0
  O  O12  1  0.732  0.526  0.526  1.0
  O  O13  1  0.268  0.794  0.794  1.0
  O  O14  1  0.000  0.474  0.206  1.0
  O  O15  1  0.000  0.206  0.474  1.0
  O  O16  1  0.610  0.310  0.310  1.0
  O  O17  1  0.390  0.700  0.700  1.0
  O  O18  1  0.000  0.690  0.300  1.0
  O  O19  1  0.000  0.300  0.690  1.0
[/CIF]
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The material described by CsCrO8(NH4)2 crystallizes in the tetragonal I-42m space group. The structure consists of four ammonium molecules inside a CsCrO8 framework. In the CsCrO8 framework, Cs(1) is bonded to four equivalent O(1) and four equivalent O(2) atoms to form distorted CsO8 hexagonal bipyramids that share corners with four equivalent Cr(1)O8 hexagonal bipyramids and edges with two equivalent Cr(1)O8 hexagonal bipyramids. Cr(1) is bonded to four equivalent O(1) and four equivalent O(2) atoms to form distorted CrO8 hexagonal bipyramids that share corners with four equivalent Cs(1)O8 hexagonal bipyramids and edges with two equivalent Cs(1)O8 hexagonal bipyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Cs(1), one Cr(1), and one O(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cs(1), one Cr(1), and one O(1) atom. is represented by the CIF card [CIF]
data_CsCrH8(NO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.596
_cell_length_b   6.596
_cell_length_c   6.596
_cell_angle_alpha   99.606
_cell_angle_beta   114.618
_cell_angle_gamma   114.618
_symmetry_Int_Tables_number   1
_cell_volume   216.120
_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  0.000  0.000  0.000  1.0
  Cr  Cr1  1  0.000  0.500  0.500  1.0
  H  H2  1  0.627  0.302  0.688  1.0
  H  H3  1  0.373  0.061  0.676  1.0
  H  H4  1  0.386  0.698  0.324  1.0
  H  H5  1  0.614  0.939  0.312  1.0
  H  H6  1  0.614  0.312  0.939  1.0
  H  H7  1  0.386  0.324  0.698  1.0
  H  H8  1  0.627  0.688  0.302  1.0
  H  H9  1  0.373  0.676  0.061  1.0
  N  N10  1  0.500  0.250  0.750  1.0
  N  N11  1  0.500  0.750  0.250  1.0
  O  O12  1  0.732  0.526  0.526  1.0
  O  O13  1  0.268  0.794  0.794  1.0
  O  O14  1  0.000  0.474  0.206  1.0
  O  O15  1  0.000  0.206  0.474  1.0
  O  O16  1  0.610  0.310  0.310  1.0
  O  O17  1  0.390  0.700  0.700  1.0
  O  O18  1  0.000  0.690  0.300  1.0
  O  O19  1  0.000  0.300  0.690  1.0
[/CIF]
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