The compound described by KMo2C4O8Cl crystallizes in the triclinic P-1 space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(7), two equivalent O(4), and two equivalent Cl(1) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one Cl(1) atom. In the second Mo site, Mo(2) is bonded in a distorted trigonal bipyramidal geometry to one O(5), one O(6), one O(7), one O(8), and one Cl(1) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one O(1) and one O(3) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(4) atom. In the third C site, C(3) is bonded in a distorted bent 150 degrees geometry to one O(5) and one O(7) atom. In the fourth C site, C(4) is bonded in a bent 150 degrees geometry to one O(6) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Mo(1), and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mo(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Mo(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent K(1), one Mo(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mo(2) and one C(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mo(2) and one C(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one K(1), one Mo(2), and one C(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mo(2) and one C(4) atom. Cl(1) is bonded in a rectangular see-saw-like geometry to two equivalent K(1), one Mo(1), and one Mo(2) atom. is represented by the CIF file [CIF]
data_KMo2C4ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.197
_cell_length_b   8.754
_cell_length_c   11.451
_cell_angle_alpha   94.007
_cell_angle_beta   90.434
_cell_angle_gamma   110.647
_symmetry_Int_Tables_number   1
_cell_volume   673.006
_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  0.790  0.120  0.600  1.0
  K  K1  1  0.210  0.880  0.400  1.0
  Mo  Mo2  1  0.409  0.367  0.565  1.0
  Mo  Mo3  1  0.591  0.633  0.435  1.0
  Mo  Mo4  1  0.087  0.015  0.874  1.0
  Mo  Mo5  1  0.913  0.985  0.126  1.0
  C  C6  1  0.145  0.454  0.390  1.0
  C  C7  1  0.855  0.546  0.610  1.0
  C  C8  1  0.423  0.703  0.667  1.0
  C  C9  1  0.577  0.297  0.333  1.0
  C  C10  1  0.256  0.852  0.066  1.0
  C  C11  1  0.744  0.148  0.934  1.0
  C  C12  1  0.268  0.295  0.071  1.0
  C  C13  1  0.732  0.705  0.929  1.0
  Cl  Cl14  1  0.232  0.080  0.652  1.0
  Cl  Cl15  1  0.768  0.920  0.348  1.0
  O  O16  1  0.138  0.350  0.463  1.0
  O  O17  1  0.862  0.650  0.537  1.0
  O  O18  1  0.364  0.557  0.689  1.0
  O  O19  1  0.636  0.443  0.311  1.0
  O  O20  1  0.714  0.423  0.640  1.0
  O  O21  1  0.286  0.577  0.360  1.0
  O  O22  1  0.489  0.221  0.419  1.0
  O  O23  1  0.511  0.779  0.581  1.0
  O  O24  1  0.268  0.885  0.962  1.0
  O  O25  1  0.732  0.115  0.038  1.0
  O  O26  1  0.283  0.257  0.966  1.0
  O  O27  1  0.717  0.743  0.034  1.0
  O  O28  1  0.846  0.130  0.849  1.0
  O  O29  1  0.154  0.870  0.151  1.0
  O  O30  1  0.838  0.769  0.847  1.0
  O  O31  1  0.162  0.231  0.153  1.0
[/CIF]
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The compound described by KMo2C4O8Cl crystallizes in the triclinic P-1 space group. K(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(7), two equivalent O(4), and two equivalent Cl(1) atoms. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one Cl(1) atom. In the second Mo site, Mo(2) is bonded in a distorted trigonal bipyramidal geometry to one O(5), one O(6), one O(7), one O(8), and one Cl(1) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one O(1) and one O(3) atom. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(4) atom. In the third C site, C(3) is bonded in a distorted bent 150 degrees geometry to one O(5) and one O(7) atom. In the fourth C site, C(4) is bonded in a bent 150 degrees geometry to one O(6) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Mo(1), and one C(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mo(1) and one C(2) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one Mo(1), and one C(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent K(1), one Mo(1), and one C(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mo(2) and one C(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mo(2) and one C(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one K(1), one Mo(2), and one C(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mo(2) and one C(4) atom. Cl(1) is bonded in a rectangular see-saw-like geometry to two equivalent K(1), one Mo(1), and one Mo(2) atom. is represented by the CIF file [CIF]
data_KMo2C4ClO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.197
_cell_length_b   8.754
_cell_length_c   11.451
_cell_angle_alpha   94.007
_cell_angle_beta   90.434
_cell_angle_gamma   110.647
_symmetry_Int_Tables_number   1
_cell_volume   673.006
_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  0.790  0.120  0.600  1.0
  K  K1  1  0.210  0.880  0.400  1.0
  Mo  Mo2  1  0.409  0.367  0.565  1.0
  Mo  Mo3  1  0.591  0.633  0.435  1.0
  Mo  Mo4  1  0.087  0.015  0.874  1.0
  Mo  Mo5  1  0.913  0.985  0.126  1.0
  C  C6  1  0.145  0.454  0.390  1.0
  C  C7  1  0.855  0.546  0.610  1.0
  C  C8  1  0.423  0.703  0.667  1.0
  C  C9  1  0.577  0.297  0.333  1.0
  C  C10  1  0.256  0.852  0.066  1.0
  C  C11  1  0.744  0.148  0.934  1.0
  C  C12  1  0.268  0.295  0.071  1.0
  C  C13  1  0.732  0.705  0.929  1.0
  Cl  Cl14  1  0.232  0.080  0.652  1.0
  Cl  Cl15  1  0.768  0.920  0.348  1.0
  O  O16  1  0.138  0.350  0.463  1.0
  O  O17  1  0.862  0.650  0.537  1.0
  O  O18  1  0.364  0.557  0.689  1.0
  O  O19  1  0.636  0.443  0.311  1.0
  O  O20  1  0.714  0.423  0.640  1.0
  O  O21  1  0.286  0.577  0.360  1.0
  O  O22  1  0.489  0.221  0.419  1.0
  O  O23  1  0.511  0.779  0.581  1.0
  O  O24  1  0.268  0.885  0.962  1.0
  O  O25  1  0.732  0.115  0.038  1.0
  O  O26  1  0.283  0.257  0.966  1.0
  O  O27  1  0.717  0.743  0.034  1.0
  O  O28  1  0.846  0.130  0.849  1.0
  O  O29  1  0.154  0.870  0.151  1.0
  O  O30  1  0.838  0.769  0.847  1.0
  O  O31  1  0.162  0.231  0.153  1.0
[/CIF]
.