The material described by MoCoH2SeO7 crystallizes in the triclinic P-1 space group. Mo(1) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Co site, Co(2) is bonded in an octahedral geometry to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) and one O(6) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(6) and one O(7) atom. Se(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Co(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Co(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mo(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1), one H(1), and one Se(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Mo(1) and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(2), one H(1), and one H(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(2), one H(2), and one Se(1) atom. is represented by the CIF file [CIF]
data_CoMoH2SeO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.064
_cell_length_b   6.714
_cell_length_c   8.958
_cell_angle_alpha   91.718
_cell_angle_beta   96.916
_cell_angle_gamma   109.359
_symmetry_Int_Tables_number   1
_cell_volume   284.476
_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
  Co  Co0  1  0.500  0.000  1.000  1.0
  Co  Co1  1  1.000  0.500  0.500  1.0
  Mo  Mo2  1  0.207  0.408  0.103  1.0
  Mo  Mo3  1  0.793  0.592  0.897  1.0
  H  H4  1  0.622  0.145  0.361  1.0
  H  H5  1  0.467  0.250  0.480  1.0
  H  H6  1  0.533  0.750  0.520  1.0
  H  H7  1  0.378  0.855  0.639  1.0
  Se  Se8  1  0.854  0.814  0.258  1.0
  Se  Se9  1  0.146  0.186  0.742  1.0
  O  O10  1  0.162  0.690  0.010  1.0
  O  O11  1  0.268  0.161  0.103  1.0
  O  O12  1  0.630  0.585  0.129  1.0
  O  O13  1  0.656  0.975  0.223  1.0
  O  O14  1  0.145  0.461  0.287  1.0
  O  O15  1  0.645  0.259  0.439  1.0
  O  O16  1  0.791  0.726  0.430  1.0
  O  O17  1  0.209  0.274  0.570  1.0
  O  O18  1  0.355  0.741  0.561  1.0
  O  O19  1  0.855  0.539  0.713  1.0
  O  O20  1  0.344  0.025  0.777  1.0
  O  O21  1  0.370  0.415  0.871  1.0
  O  O22  1  0.732  0.839  0.897  1.0
  O  O23  1  0.838  0.310  0.990  1.0
[/CIF]
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The material described by MoCoH2SeO7 crystallizes in the triclinic P-1 space group. Mo(1) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Co site, Co(2) is bonded in an octahedral geometry to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) and one O(6) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(6) and one O(7) atom. Se(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(7) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Mo(1) and one Co(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mo(1) and one Co(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mo(1) and one Se(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Co(1), one H(1), and one Se(1) atom. In the fifth O site, O(5) is bonded in a linear geometry to one Mo(1) and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(2), one H(1), and one H(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(2), one H(2), and one Se(1) atom. is represented by the CIF file [CIF]
data_CoMoH2SeO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.064
_cell_length_b   6.714
_cell_length_c   8.958
_cell_angle_alpha   91.718
_cell_angle_beta   96.916
_cell_angle_gamma   109.359
_symmetry_Int_Tables_number   1
_cell_volume   284.476
_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
  Co  Co0  1  0.500  0.000  1.000  1.0
  Co  Co1  1  1.000  0.500  0.500  1.0
  Mo  Mo2  1  0.207  0.408  0.103  1.0
  Mo  Mo3  1  0.793  0.592  0.897  1.0
  H  H4  1  0.622  0.145  0.361  1.0
  H  H5  1  0.467  0.250  0.480  1.0
  H  H6  1  0.533  0.750  0.520  1.0
  H  H7  1  0.378  0.855  0.639  1.0
  Se  Se8  1  0.854  0.814  0.258  1.0
  Se  Se9  1  0.146  0.186  0.742  1.0
  O  O10  1  0.162  0.690  0.010  1.0
  O  O11  1  0.268  0.161  0.103  1.0
  O  O12  1  0.630  0.585  0.129  1.0
  O  O13  1  0.656  0.975  0.223  1.0
  O  O14  1  0.145  0.461  0.287  1.0
  O  O15  1  0.645  0.259  0.439  1.0
  O  O16  1  0.791  0.726  0.430  1.0
  O  O17  1  0.209  0.274  0.570  1.0
  O  O18  1  0.355  0.741  0.561  1.0
  O  O19  1  0.855  0.539  0.713  1.0
  O  O20  1  0.344  0.025  0.777  1.0
  O  O21  1  0.370  0.415  0.871  1.0
  O  O22  1  0.732  0.839  0.897  1.0
  O  O23  1  0.838  0.310  0.990  1.0
[/CIF]
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