The compound described by CsCa(NO2)3 crystallizes in the trigonal R3 space group. Cs(1) is bonded in a distorted q6 geometry to six equivalent O(1) and six equivalent O(2) atoms. Ca(1) is bonded in a 9-coordinate geometry to three equivalent N(1), three equivalent O(1), and three equivalent O(2) atoms. N(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one O(1), and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), one Ca(1), and one N(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Cs(1), one Ca(1), and one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsCa(NO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.607
_cell_length_b   5.607
_cell_length_c   5.607
_cell_angle_alpha   89.745
_cell_angle_beta   89.745
_cell_angle_gamma   89.745
_symmetry_Int_Tables_number   1
_cell_volume   176.241
_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  1.000  1.000  1.000  1.0
  Ca  Ca1  1  0.468  0.468  0.468  1.0
  N  N2  1  0.931  0.517  0.490  1.0
  N  N3  1  0.517  0.490  0.931  1.0
  N  N4  1  0.490  0.931  0.517  1.0
  O  O5  1  0.678  0.055  0.519  1.0
  O  O6  1  0.519  0.678  0.055  1.0
  O  O7  1  0.508  0.296  0.050  1.0
  O  O8  1  0.296  0.050  0.508  1.0
  O  O9  1  0.055  0.519  0.678  1.0
  O  O10  1  0.050  0.508  0.296  1.0
[/CIF]
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The compound described by CsCa(NO2)3 crystallizes in the trigonal R3 space group. Cs(1) is bonded in a distorted q6 geometry to six equivalent O(1) and six equivalent O(2) atoms. Ca(1) is bonded in a 9-coordinate geometry to three equivalent N(1), three equivalent O(1), and three equivalent O(2) atoms. N(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one O(1), and one O(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Cs(1), one Ca(1), and one N(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Cs(1), one Ca(1), and one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CsCa(NO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.607
_cell_length_b   5.607
_cell_length_c   5.607
_cell_angle_alpha   89.745
_cell_angle_beta   89.745
_cell_angle_gamma   89.745
_symmetry_Int_Tables_number   1
_cell_volume   176.241
_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  1.000  1.000  1.000  1.0
  Ca  Ca1  1  0.468  0.468  0.468  1.0
  N  N2  1  0.931  0.517  0.490  1.0
  N  N3  1  0.517  0.490  0.931  1.0
  N  N4  1  0.490  0.931  0.517  1.0
  O  O5  1  0.678  0.055  0.519  1.0
  O  O6  1  0.519  0.678  0.055  1.0
  O  O7  1  0.508  0.296  0.050  1.0
  O  O8  1  0.296  0.050  0.508  1.0
  O  O9  1  0.055  0.519  0.678  1.0
  O  O10  1  0.050  0.508  0.296  1.0
[/CIF]
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