The crystal structure described by BaCo2P2H2O9 crystallizes in the monoclinic C2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(5), four equivalent O(3), and four equivalent O(4) atoms. Co(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted CoO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-67°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to two equivalent Co(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Ba(1), one Co(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Co(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCo2P2H2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.959
_cell_length_b   5.278
_cell_length_c   8.432
_cell_angle_alpha   88.427
_cell_angle_beta   90.000
_cell_angle_gamma   61.984
_symmetry_Int_Tables_number   1
_cell_volume   194.777
_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
  Ba  Ba0  1  0.222  1.000  0.500  1.0
  Co  Co1  1  0.836  0.664  0.147  1.0
  Co  Co2  1  0.500  0.336  0.853  1.0
  H  H3  1  0.349  0.881  0.933  1.0
  H  H4  1  0.230  0.119  0.067  1.0
  O  O5  1  0.405  0.000  1.000  1.0
  O  O6  1  0.043  0.630  0.933  1.0
  O  O7  1  0.674  0.370  0.067  1.0
  O  O8  1  0.791  0.990  0.289  1.0
  O  O9  1  0.781  0.010  0.711  1.0
  O  O10  1  0.637  0.513  0.345  1.0
  O  O11  1  0.150  0.487  0.655  1.0
  O  O12  1  0.246  0.359  0.245  1.0
  O  O13  1  0.605  0.641  0.755  1.0
  P  P14  1  0.579  0.311  0.237  1.0
  P  P15  1  0.890  0.689  0.763  1.0
[/CIF]
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The crystal structure described by BaCo2P2H2O9 crystallizes in the monoclinic C2 space group. Ba(1) is bonded in a 10-coordinate geometry to two equivalent O(5), four equivalent O(3), and four equivalent O(4) atoms. Co(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form distorted CoO6 octahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-67°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. H(1) is bonded in a single-bond geometry to one O(1) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to two equivalent Co(1) and two equivalent H(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one P(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Co(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to two equivalent Ba(1), one Co(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one Co(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaCo2P2H2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.959
_cell_length_b   5.278
_cell_length_c   8.432
_cell_angle_alpha   88.427
_cell_angle_beta   90.000
_cell_angle_gamma   61.984
_symmetry_Int_Tables_number   1
_cell_volume   194.777
_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
  Ba  Ba0  1  0.222  1.000  0.500  1.0
  Co  Co1  1  0.836  0.664  0.147  1.0
  Co  Co2  1  0.500  0.336  0.853  1.0
  H  H3  1  0.349  0.881  0.933  1.0
  H  H4  1  0.230  0.119  0.067  1.0
  O  O5  1  0.405  0.000  1.000  1.0
  O  O6  1  0.043  0.630  0.933  1.0
  O  O7  1  0.674  0.370  0.067  1.0
  O  O8  1  0.791  0.990  0.289  1.0
  O  O9  1  0.781  0.010  0.711  1.0
  O  O10  1  0.637  0.513  0.345  1.0
  O  O11  1  0.150  0.487  0.655  1.0
  O  O12  1  0.246  0.359  0.245  1.0
  O  O13  1  0.605  0.641  0.755  1.0
  P  P14  1  0.579  0.311  0.237  1.0
  P  P15  1  0.890  0.689  0.763  1.0
[/CIF]
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