The material described by K2CoP2(H3O4)2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(3) atoms. Co(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with four equivalent P(1)HO3 tetrahedra. P(1) is bonded to one H(1), one O(1), and two equivalent O(3) atoms to form distorted PHO3 tetrahedra that share corners with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one P(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Co(1) and two equivalent H(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Co(1), and one P(1) atom. is represented by the CIF file [CIF]
data_K2CoP2(H3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.366
_cell_length_b   6.953
_cell_length_c   7.468
_cell_angle_alpha   112.870
_cell_angle_beta   90.010
_cell_angle_gamma   112.680
_symmetry_Int_Tables_number   1
_cell_volume   233.161
_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
  Co  Co0  1  0.500  0.000  0.500  1.0
  H  H1  1  0.738  0.475  0.120  1.0
  H  H2  1  0.262  0.525  0.880  1.0
  H  H3  1  0.621  0.944  0.156  1.0
  H  H4  1  0.322  0.944  0.156  1.0
  H  H5  1  0.379  0.056  0.844  1.0
  H  H6  1  0.678  0.056  0.844  1.0
  K  K7  1  0.835  0.669  0.715  1.0
  K  K8  1  0.165  0.331  0.285  1.0
  O  O9  1  0.927  0.853  0.140  1.0
  O  O10  1  0.073  0.147  0.860  1.0
  O  O11  1  0.517  0.035  0.220  1.0
  O  O12  1  0.483  0.965  0.780  1.0
  O  O13  1  0.104  0.734  0.385  1.0
  O  O14  1  0.630  0.734  0.385  1.0
  O  O15  1  0.896  0.266  0.615  1.0
  O  O16  1  0.370  0.266  0.615  1.0
  P  P17  1  0.855  0.709  0.261  1.0
  P  P18  1  0.145  0.291  0.739  1.0
[/CIF]
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The material described by K2CoP2(H3O4)2 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(3) atoms. Co(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form CoO6 octahedra that share corners with four equivalent P(1)HO3 tetrahedra. P(1) is bonded to one H(1), one O(1), and two equivalent O(3) atoms to form distorted PHO3 tetrahedra that share corners with two equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one P(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to one Co(1) and two equivalent H(2) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Co(1), and one P(1) atom. is represented by the CIF file [CIF]
data_K2CoP2(H3O4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.366
_cell_length_b   6.953
_cell_length_c   7.468
_cell_angle_alpha   112.870
_cell_angle_beta   90.010
_cell_angle_gamma   112.680
_symmetry_Int_Tables_number   1
_cell_volume   233.161
_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
  Co  Co0  1  0.500  0.000  0.500  1.0
  H  H1  1  0.738  0.475  0.120  1.0
  H  H2  1  0.262  0.525  0.880  1.0
  H  H3  1  0.621  0.944  0.156  1.0
  H  H4  1  0.322  0.944  0.156  1.0
  H  H5  1  0.379  0.056  0.844  1.0
  H  H6  1  0.678  0.056  0.844  1.0
  K  K7  1  0.835  0.669  0.715  1.0
  K  K8  1  0.165  0.331  0.285  1.0
  O  O9  1  0.927  0.853  0.140  1.0
  O  O10  1  0.073  0.147  0.860  1.0
  O  O11  1  0.517  0.035  0.220  1.0
  O  O12  1  0.483  0.965  0.780  1.0
  O  O13  1  0.104  0.734  0.385  1.0
  O  O14  1  0.630  0.734  0.385  1.0
  O  O15  1  0.896  0.266  0.615  1.0
  O  O16  1  0.370  0.266  0.615  1.0
  P  P17  1  0.855  0.709  0.261  1.0
  P  P18  1  0.145  0.291  0.739  1.0
[/CIF]
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