The compound described by KCo(HCOO)3 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Co(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(2) and two equivalent O(1) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(1), one O(2), and one O(3) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Co(1), and one C(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Co(1), and one C(2) atom. is represented by the CIF card [CIF]
data_KCoH3(CO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.060
_cell_length_b   7.060
_cell_length_c   6.838
_cell_angle_alpha   87.042
_cell_angle_beta   87.042
_cell_angle_gamma   80.245
_symmetry_Int_Tables_number   1
_cell_volume   335.098
_cell_formula_units_Z   2
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  0.900  0.100  0.750  1.0
  K  K1  1  0.100  0.900  0.250  1.0
  Co  Co2  1  0.000  0.500  0.000  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  H  H4  1  0.678  0.566  0.507  1.0
  H  H5  1  0.623  0.377  0.250  1.0
  H  H6  1  0.566  0.678  0.007  1.0
  H  H7  1  0.434  0.322  0.993  1.0
  H  H8  1  0.377  0.623  0.750  1.0
  H  H9  1  0.322  0.434  0.493  1.0
  C  C10  1  0.745  0.255  0.250  1.0
  C  C11  1  0.737  0.620  0.637  1.0
  C  C12  1  0.620  0.737  0.137  1.0
  C  C13  1  0.380  0.263  0.863  1.0
  C  C14  1  0.263  0.380  0.363  1.0
  C  C15  1  0.255  0.745  0.750  1.0
  O  O16  1  0.882  0.260  0.122  1.0
  O  O17  1  0.833  0.496  0.748  1.0
  O  O18  1  0.801  0.702  0.159  1.0
  O  O19  1  0.740  0.118  0.378  1.0
  O  O20  1  0.702  0.801  0.659  1.0
  O  O21  1  0.504  0.167  0.752  1.0
  O  O22  1  0.496  0.833  0.248  1.0
  O  O23  1  0.298  0.199  0.341  1.0
  O  O24  1  0.260  0.882  0.622  1.0
  O  O25  1  0.199  0.298  0.841  1.0
  O  O26  1  0.167  0.504  0.252  1.0
  O  O27  1  0.118  0.740  0.878  1.0
[/CIF]
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The compound described by KCo(HCOO)3 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Co(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one H(2) and two equivalent O(1) atoms. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(1), one O(2), and one O(3) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(1) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent K(1), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one Co(1), and one C(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Co(1), and one C(2) atom. is represented by the CIF card [CIF]
data_KCoH3(CO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.060
_cell_length_b   7.060
_cell_length_c   6.838
_cell_angle_alpha   87.042
_cell_angle_beta   87.042
_cell_angle_gamma   80.245
_symmetry_Int_Tables_number   1
_cell_volume   335.098
_cell_formula_units_Z   2
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  0.900  0.100  0.750  1.0
  K  K1  1  0.100  0.900  0.250  1.0
  Co  Co2  1  0.000  0.500  0.000  1.0
  Co  Co3  1  0.500  0.000  0.500  1.0
  H  H4  1  0.678  0.566  0.507  1.0
  H  H5  1  0.623  0.377  0.250  1.0
  H  H6  1  0.566  0.678  0.007  1.0
  H  H7  1  0.434  0.322  0.993  1.0
  H  H8  1  0.377  0.623  0.750  1.0
  H  H9  1  0.322  0.434  0.493  1.0
  C  C10  1  0.745  0.255  0.250  1.0
  C  C11  1  0.737  0.620  0.637  1.0
  C  C12  1  0.620  0.737  0.137  1.0
  C  C13  1  0.380  0.263  0.863  1.0
  C  C14  1  0.263  0.380  0.363  1.0
  C  C15  1  0.255  0.745  0.750  1.0
  O  O16  1  0.882  0.260  0.122  1.0
  O  O17  1  0.833  0.496  0.748  1.0
  O  O18  1  0.801  0.702  0.159  1.0
  O  O19  1  0.740  0.118  0.378  1.0
  O  O20  1  0.702  0.801  0.659  1.0
  O  O21  1  0.504  0.167  0.752  1.0
  O  O22  1  0.496  0.833  0.248  1.0
  O  O23  1  0.298  0.199  0.341  1.0
  O  O24  1  0.260  0.882  0.622  1.0
  O  O25  1  0.199  0.298  0.841  1.0
  O  O26  1  0.167  0.504  0.252  1.0
  O  O27  1  0.118  0.740  0.878  1.0
[/CIF]
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