The compound described by K2LiBaCo(NO2)6 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), one O(7), one O(8), and two equivalent O(4) atoms. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(6), and two equivalent O(2) atoms. Ba(1) is bonded in a cuboctahedral geometry to one O(3), one O(5), one O(6), one O(8), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms. Co(1) is bonded in an octahedral geometry to one N(1), one N(2), one N(4), one N(5), and two equivalent N(3) atoms. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Co(1) and two equivalent O(2) atoms. In the second N site, N(2) is bonded in a trigonal planar geometry to one Co(1) and two equivalent O(1) atoms. In the third N site, N(3) is bonded in a trigonal planar geometry to one Co(1), one O(4), and one O(7) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Co(1), one O(3), and one O(8) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Co(1), one O(5), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ba(1), and one N(4) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one Ba(1), and one N(2) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one Li(1), one Ba(1), and one N(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Ba(1), and one N(4) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ba(1), and one N(3) atom. In the sixth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ba(1), and one N(5) atom. In the seventh O site, O(6) is bonded in a distorted linear geometry to one Li(1), one Ba(1), and one N(5) atom. In the eighth O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one Ba(1), and one N(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2BaLiCo(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.999
_cell_length_b   7.554
_cell_length_c   7.856
_cell_angle_alpha   118.627
_cell_angle_beta   120.500
_cell_angle_gamma   90.183
_symmetry_Int_Tables_number   1
_cell_volume   339.400
_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  0.221  0.715  0.408  1.0
  K  K1  1  0.813  0.307  0.592  1.0
  Ba  Ba2  1  0.503  0.485  0.000  1.0
  Li  Li3  1  0.432  0.915  0.000  1.0
  Co  Co4  1  0.996  0.993  0.000  1.0
  N  N5  1  0.177  0.799  0.000  1.0
  N  N6  1  0.813  0.192  0.000  1.0
  N  N7  1  0.190  0.192  0.390  1.0
  N  N8  1  0.800  0.802  0.610  1.0
  N  N9  1  0.187  0.183  1.000  1.0
  N  N10  1  0.806  0.803  0.000  1.0
  O  O11  1  0.653  0.154  0.808  1.0
  O  O12  1  0.845  0.346  0.192  1.0
  O  O13  1  0.167  0.676  0.808  1.0
  O  O14  1  0.360  0.868  0.192  1.0
  O  O15  1  0.345  0.147  0.000  1.0
  O  O16  1  0.655  0.630  0.490  1.0
  O  O17  1  0.838  0.639  0.000  1.0
  O  O18  1  0.650  0.842  0.000  1.0
  O  O19  1  0.821  0.857  0.491  1.0
  O  O20  1  0.330  0.366  0.509  1.0
  O  O21  1  0.166  0.140  0.510  1.0
  O  O22  1  0.155  0.347  0.000  1.0
[/CIF]
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The compound described by K2LiBaCo(NO2)6 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(5), one O(7), one O(8), and two equivalent O(4) atoms. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(6), and two equivalent O(2) atoms. Ba(1) is bonded in a cuboctahedral geometry to one O(3), one O(5), one O(6), one O(8), two equivalent O(1), two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms. Co(1) is bonded in an octahedral geometry to one N(1), one N(2), one N(4), one N(5), and two equivalent N(3) atoms. There are five inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Co(1) and two equivalent O(2) atoms. In the second N site, N(2) is bonded in a trigonal planar geometry to one Co(1) and two equivalent O(1) atoms. In the third N site, N(3) is bonded in a trigonal planar geometry to one Co(1), one O(4), and one O(7) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Co(1), one O(3), and one O(8) atom. In the fifth N site, N(5) is bonded in a trigonal planar geometry to one Co(1), one O(5), and one O(6) atom. There are eight inequivalent O sites. In the first O site, O(8) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ba(1), and one N(4) atom. In the second O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one Ba(1), and one N(2) atom. In the third O site, O(2) is bonded in a 2-coordinate geometry to one K(1), one Li(1), one Ba(1), and one N(1) atom. In the fourth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1), one Ba(1), and one N(4) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ba(1), and one N(3) atom. In the sixth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent K(1), one Ba(1), and one N(5) atom. In the seventh O site, O(6) is bonded in a distorted linear geometry to one Li(1), one Ba(1), and one N(5) atom. In the eighth O site, O(7) is bonded in a distorted single-bond geometry to one K(1), one Ba(1), and one N(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2BaLiCo(NO2)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.999
_cell_length_b   7.554
_cell_length_c   7.856
_cell_angle_alpha   118.627
_cell_angle_beta   120.500
_cell_angle_gamma   90.183
_symmetry_Int_Tables_number   1
_cell_volume   339.400
_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  0.221  0.715  0.408  1.0
  K  K1  1  0.813  0.307  0.592  1.0
  Ba  Ba2  1  0.503  0.485  0.000  1.0
  Li  Li3  1  0.432  0.915  0.000  1.0
  Co  Co4  1  0.996  0.993  0.000  1.0
  N  N5  1  0.177  0.799  0.000  1.0
  N  N6  1  0.813  0.192  0.000  1.0
  N  N7  1  0.190  0.192  0.390  1.0
  N  N8  1  0.800  0.802  0.610  1.0
  N  N9  1  0.187  0.183  1.000  1.0
  N  N10  1  0.806  0.803  0.000  1.0
  O  O11  1  0.653  0.154  0.808  1.0
  O  O12  1  0.845  0.346  0.192  1.0
  O  O13  1  0.167  0.676  0.808  1.0
  O  O14  1  0.360  0.868  0.192  1.0
  O  O15  1  0.345  0.147  0.000  1.0
  O  O16  1  0.655  0.630  0.490  1.0
  O  O17  1  0.838  0.639  0.000  1.0
  O  O18  1  0.650  0.842  0.000  1.0
  O  O19  1  0.821  0.857  0.491  1.0
  O  O20  1  0.330  0.366  0.509  1.0
  O  O21  1  0.166  0.140  0.510  1.0
  O  O22  1  0.155  0.347  0.000  1.0
[/CIF]
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