The material described by K2CaNi(NO2)6 crystallizes in the cubic Fm-3 space group. K(1) is bonded to twelve equivalent O(1) atoms to form KO12 cuboctahedra that share edges with six equivalent K(1)O12 cuboctahedra and faces with four equivalent Ca(1)O12 cuboctahedra. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share faces with eight equivalent K(1)O12 cuboctahedra. Ni(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. N(1) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent O(1) atoms. O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ca(1), and one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2CaNi(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.403
_cell_length_b   7.403
_cell_length_c   7.403
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   286.928
_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
  K  K0  1  0.750  0.750  0.750  1.0
  K  K1  1  0.250  0.250  0.250  1.0
  Ca  Ca2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.800  0.200  0.200  1.0
  N  N5  1  0.200  0.800  0.200  1.0
  N  N6  1  0.200  0.200  0.800  1.0
  N  N7  1  0.800  0.800  0.200  1.0
  N  N8  1  0.800  0.200  0.800  1.0
  N  N9  1  0.200  0.800  0.800  1.0
  O  O10  1  0.366  0.634  0.161  1.0
  O  O11  1  0.366  0.839  0.634  1.0
  O  O12  1  0.634  0.161  0.366  1.0
  O  O13  1  0.839  0.366  0.161  1.0
  O  O14  1  0.161  0.634  0.839  1.0
  O  O15  1  0.634  0.839  0.161  1.0
  O  O16  1  0.839  0.161  0.634  1.0
  O  O17  1  0.634  0.366  0.839  1.0
  O  O18  1  0.366  0.161  0.839  1.0
  O  O19  1  0.161  0.366  0.634  1.0
  O  O20  1  0.161  0.839  0.366  1.0
  O  O21  1  0.839  0.634  0.366  1.0
[/CIF]
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The material described by K2CaNi(NO2)6 crystallizes in the cubic Fm-3 space group. K(1) is bonded to twelve equivalent O(1) atoms to form KO12 cuboctahedra that share edges with six equivalent K(1)O12 cuboctahedra and faces with four equivalent Ca(1)O12 cuboctahedra. Ca(1) is bonded to twelve equivalent O(1) atoms to form CaO12 cuboctahedra that share faces with eight equivalent K(1)O12 cuboctahedra. Ni(1) is bonded in an octahedral geometry to six equivalent N(1) atoms. N(1) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent O(1) atoms. O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ca(1), and one N(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2CaNi(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.403
_cell_length_b   7.403
_cell_length_c   7.403
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   286.928
_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
  K  K0  1  0.750  0.750  0.750  1.0
  K  K1  1  0.250  0.250  0.250  1.0
  Ca  Ca2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.000  0.000  0.000  1.0
  N  N4  1  0.800  0.200  0.200  1.0
  N  N5  1  0.200  0.800  0.200  1.0
  N  N6  1  0.200  0.200  0.800  1.0
  N  N7  1  0.800  0.800  0.200  1.0
  N  N8  1  0.800  0.200  0.800  1.0
  N  N9  1  0.200  0.800  0.800  1.0
  O  O10  1  0.366  0.634  0.161  1.0
  O  O11  1  0.366  0.839  0.634  1.0
  O  O12  1  0.634  0.161  0.366  1.0
  O  O13  1  0.839  0.366  0.161  1.0
  O  O14  1  0.161  0.634  0.839  1.0
  O  O15  1  0.634  0.839  0.161  1.0
  O  O16  1  0.839  0.161  0.634  1.0
  O  O17  1  0.634  0.366  0.839  1.0
  O  O18  1  0.366  0.161  0.839  1.0
  O  O19  1  0.161  0.366  0.634  1.0
  O  O20  1  0.161  0.839  0.366  1.0
  O  O21  1  0.839  0.634  0.366  1.0
[/CIF]
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