The compound described by K2LiBaCo(NO2)6 crystallizes in the orthorhombic Fmm2 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. Co(1) is bonded in an octahedral geometry to one N(3), one N(4), two equivalent N(1), and two equivalent N(2) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Co(1) and two equivalent O(1) atoms. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Co(1), one O(3), and one O(5) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Co(1) and two equivalent O(2) atoms. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Co(1) and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one Ba(1), and one N(1) atom. In the second O site, O(2) is bonded in an L-shaped geometry to two equivalent K(1), one Li(1), and one N(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent K(1), one Li(1), and one N(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(1), one Ba(1), and one N(4) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Ba(1) and one N(2) atom. is represented by the CIF card [CIF]
data_K2BaLiCo(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.026
_cell_length_b   8.026
_cell_length_c   8.247
_cell_angle_alpha   125.103
_cell_angle_beta   125.103
_cell_angle_gamma   79.527
_symmetry_Int_Tables_number   1
_cell_volume   346.615
_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  0.287  0.787  0.500  1.0
  K  K1  1  0.787  0.287  0.500  1.0
  Ba  Ba2  1  0.582  0.582  0.000  1.0
  Li  Li3  1  0.333  0.333  0.000  1.0
  Co  Co4  1  0.989  0.989  0.000  1.0
  N  N5  1  0.180  0.800  0.000  1.0
  N  N6  1  0.800  0.180  0.000  1.0
  N  N7  1  0.203  0.203  0.427  1.0
  N  N8  1  0.776  0.776  0.573  1.0
  N  N9  1  0.145  0.145  1.000  1.0
  N  N10  1  0.837  0.837  0.000  1.0
  O  O11  1  0.638  0.147  0.803  1.0
  O  O12  1  0.835  0.344  0.197  1.0
  O  O13  1  0.147  0.638  0.803  1.0
  O  O14  1  0.344  0.835  0.197  1.0
  O  O15  1  0.309  0.096  0.000  1.0
  O  O16  1  0.619  0.619  0.414  1.0
  O  O17  1  0.888  0.671  0.000  1.0
  O  O18  1  0.671  0.888  0.000  1.0
  O  O19  1  0.829  0.829  0.490  1.0
  O  O20  1  0.339  0.339  0.510  1.0
  O  O21  1  0.205  0.205  0.586  1.0
  O  O22  1  0.096  0.309  0.000  1.0
[/CIF]
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The compound described by K2LiBaCo(NO2)6 crystallizes in the orthorhombic Fmm2 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. Ba(1) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. Co(1) is bonded in an octahedral geometry to one N(3), one N(4), two equivalent N(1), and two equivalent N(2) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Co(1) and two equivalent O(1) atoms. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Co(1), one O(3), and one O(5) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Co(1) and two equivalent O(2) atoms. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Co(1) and two equivalent O(4) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one Ba(1), and one N(1) atom. In the second O site, O(2) is bonded in an L-shaped geometry to two equivalent K(1), one Li(1), and one N(3) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent K(1), one Li(1), and one N(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent K(1), one Ba(1), and one N(4) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Ba(1) and one N(2) atom. is represented by the CIF card [CIF]
data_K2BaLiCo(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.026
_cell_length_b   8.026
_cell_length_c   8.247
_cell_angle_alpha   125.103
_cell_angle_beta   125.103
_cell_angle_gamma   79.527
_symmetry_Int_Tables_number   1
_cell_volume   346.615
_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  0.287  0.787  0.500  1.0
  K  K1  1  0.787  0.287  0.500  1.0
  Ba  Ba2  1  0.582  0.582  0.000  1.0
  Li  Li3  1  0.333  0.333  0.000  1.0
  Co  Co4  1  0.989  0.989  0.000  1.0
  N  N5  1  0.180  0.800  0.000  1.0
  N  N6  1  0.800  0.180  0.000  1.0
  N  N7  1  0.203  0.203  0.427  1.0
  N  N8  1  0.776  0.776  0.573  1.0
  N  N9  1  0.145  0.145  1.000  1.0
  N  N10  1  0.837  0.837  0.000  1.0
  O  O11  1  0.638  0.147  0.803  1.0
  O  O12  1  0.835  0.344  0.197  1.0
  O  O13  1  0.147  0.638  0.803  1.0
  O  O14  1  0.344  0.835  0.197  1.0
  O  O15  1  0.309  0.096  0.000  1.0
  O  O16  1  0.619  0.619  0.414  1.0
  O  O17  1  0.888  0.671  0.000  1.0
  O  O18  1  0.671  0.888  0.000  1.0
  O  O19  1  0.829  0.829  0.490  1.0
  O  O20  1  0.339  0.339  0.510  1.0
  O  O21  1  0.205  0.205  0.586  1.0
  O  O22  1  0.096  0.309  0.000  1.0
[/CIF]
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