The compound described by KRe6Se5O3Cl7 crystallizes in the triclinic P1 space group. K(1) is bonded in a 7-coordinate geometry to one O(3), one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), and one Cl(6) atom. There are six inequivalent Re sites. In the first Re site, Re(1) is bonded in a 5-coordinate geometry to one Se(3), one Se(4), one Se(5), one O(1), and one Cl(4) atom. In the second Re site, Re(2) is bonded in a 3-coordinate geometry to one Se(1), one Se(5), one O(1), one O(2), and one Cl(5) atom. In the third Re site, Re(3) is bonded in a 5-coordinate geometry to one Se(2), one Se(4), one Se(5), one O(2), and one Cl(6) atom. In the fourth Re site, Re(4) is bonded in a 5-coordinate geometry to one Se(1), one Se(2), one O(2), one Cl(1), and one Cl(7) atom. In the fifth Re site, Re(5) is bonded in a 5-coordinate geometry to one Se(2), one Se(3), one Se(4), one Cl(2), and one Cl(7) atom. In the sixth Re site, Re(6) is bonded in a 5-coordinate geometry to one Se(1), one Se(3), one O(1), one Cl(3), and one Cl(7) atom. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Re(2), one Re(4), and one Re(6) atom. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Re(3), one Re(4), and one Re(5) atom. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to one Re(1), one Re(5), and one Re(6) atom. In the fourth Se site, Se(4) is bonded in a 3-coordinate geometry to one Re(1), one Re(3), and one Re(5) atom. In the fifth Se site, Se(5) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(6) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Re(2), one Re(3), and one Re(4) atom. In the third O site, O(3) is bonded in a single-bond geometry to one K(1) atom. There are seven inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 120 degrees geometry to one K(1) and one Re(4) atom. In the second Cl site, Cl(2) is bonded in a bent 120 degrees geometry to one K(1) and one Re(5) atom. In the third Cl site, Cl(3) is bonded in a bent 120 degrees geometry to one K(1) and one Re(6) atom. In the fourth Cl site, Cl(4) is bonded in a distorted bent 120 degrees geometry to one K(1) and one Re(1) atom. In the fifth Cl site, Cl(5) is bonded in a bent 120 degrees geometry to one K(1) and one Re(2) atom. In the sixth Cl site, Cl(6) is bonded in a bent 120 degrees geometry to one K(1) and one Re(3) atom. In the seventh Cl site, Cl(7) is bonded in a 3-coordinate geometry to one Re(4), one Re(5), and one Re(6) atom. is represented by the CIF card [CIF]
data_KRe6Se5Cl7O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.011
_cell_length_b   9.061
_cell_length_c   9.115
_cell_angle_alpha   65.198
_cell_angle_beta   66.595
_cell_angle_gamma   64.877
_symmetry_Int_Tables_number   1
_cell_volume   589.486
_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
  K  K0  1  0.492  0.500  0.494  1.0
  Re  Re1  1  0.945  0.794  0.103  1.0
  Re  Re2  1  0.806  0.100  0.941  1.0
  Re  Re3  1  0.106  0.940  0.798  1.0
  Re  Re4  1  0.049  0.204  0.886  1.0
  Re  Re5  1  0.197  0.894  0.057  1.0
  Re  Re6  1  0.880  0.054  0.202  1.0
  Se  Se7  1  0.763  0.357  0.041  1.0
  Se  Se8  1  0.345  0.049  0.750  1.0
  Se  Se9  1  0.035  0.758  0.356  1.0
  Se  Se10  1  0.243  0.640  0.970  1.0
  Se  Se11  1  0.855  0.850  0.849  1.0
  Cl  Cl12  1  0.115  0.468  0.744  1.0
  Cl  Cl13  1  0.463  0.760  0.127  1.0
  Cl  Cl14  1  0.739  0.123  0.458  1.0
  Cl  Cl15  1  0.857  0.543  0.259  1.0
  Cl  Cl16  1  0.539  0.253  0.872  1.0
  Cl  Cl17  1  0.243  0.886  0.533  1.0
  Cl  Cl18  1  0.141  0.148  0.143  1.0
  O  O19  1  0.711  0.965  0.208  1.0
  O  O20  1  0.971  0.203  0.706  1.0
  O  O21  1  0.346  0.353  0.344  1.0
[/CIF]
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The compound described by KRe6Se5O3Cl7 crystallizes in the triclinic P1 space group. K(1) is bonded in a 7-coordinate geometry to one O(3), one Cl(1), one Cl(2), one Cl(3), one Cl(4), one Cl(5), and one Cl(6) atom. There are six inequivalent Re sites. In the first Re site, Re(1) is bonded in a 5-coordinate geometry to one Se(3), one Se(4), one Se(5), one O(1), and one Cl(4) atom. In the second Re site, Re(2) is bonded in a 3-coordinate geometry to one Se(1), one Se(5), one O(1), one O(2), and one Cl(5) atom. In the third Re site, Re(3) is bonded in a 5-coordinate geometry to one Se(2), one Se(4), one Se(5), one O(2), and one Cl(6) atom. In the fourth Re site, Re(4) is bonded in a 5-coordinate geometry to one Se(1), one Se(2), one O(2), one Cl(1), and one Cl(7) atom. In the fifth Re site, Re(5) is bonded in a 5-coordinate geometry to one Se(2), one Se(3), one Se(4), one Cl(2), and one Cl(7) atom. In the sixth Re site, Re(6) is bonded in a 5-coordinate geometry to one Se(1), one Se(3), one O(1), one Cl(3), and one Cl(7) atom. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to one Re(2), one Re(4), and one Re(6) atom. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to one Re(3), one Re(4), and one Re(5) atom. In the third Se site, Se(3) is bonded in a 3-coordinate geometry to one Re(1), one Re(5), and one Re(6) atom. In the fourth Se site, Se(4) is bonded in a 3-coordinate geometry to one Re(1), one Re(3), and one Re(5) atom. In the fifth Se site, Se(5) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Re(1), one Re(2), and one Re(6) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Re(2), one Re(3), and one Re(4) atom. In the third O site, O(3) is bonded in a single-bond geometry to one K(1) atom. There are seven inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a bent 120 degrees geometry to one K(1) and one Re(4) atom. In the second Cl site, Cl(2) is bonded in a bent 120 degrees geometry to one K(1) and one Re(5) atom. In the third Cl site, Cl(3) is bonded in a bent 120 degrees geometry to one K(1) and one Re(6) atom. In the fourth Cl site, Cl(4) is bonded in a distorted bent 120 degrees geometry to one K(1) and one Re(1) atom. In the fifth Cl site, Cl(5) is bonded in a bent 120 degrees geometry to one K(1) and one Re(2) atom. In the sixth Cl site, Cl(6) is bonded in a bent 120 degrees geometry to one K(1) and one Re(3) atom. In the seventh Cl site, Cl(7) is bonded in a 3-coordinate geometry to one Re(4), one Re(5), and one Re(6) atom. is represented by the CIF card [CIF]
data_KRe6Se5Cl7O3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.011
_cell_length_b   9.061
_cell_length_c   9.115
_cell_angle_alpha   65.198
_cell_angle_beta   66.595
_cell_angle_gamma   64.877
_symmetry_Int_Tables_number   1
_cell_volume   589.486
_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
  K  K0  1  0.492  0.500  0.494  1.0
  Re  Re1  1  0.945  0.794  0.103  1.0
  Re  Re2  1  0.806  0.100  0.941  1.0
  Re  Re3  1  0.106  0.940  0.798  1.0
  Re  Re4  1  0.049  0.204  0.886  1.0
  Re  Re5  1  0.197  0.894  0.057  1.0
  Re  Re6  1  0.880  0.054  0.202  1.0
  Se  Se7  1  0.763  0.357  0.041  1.0
  Se  Se8  1  0.345  0.049  0.750  1.0
  Se  Se9  1  0.035  0.758  0.356  1.0
  Se  Se10  1  0.243  0.640  0.970  1.0
  Se  Se11  1  0.855  0.850  0.849  1.0
  Cl  Cl12  1  0.115  0.468  0.744  1.0
  Cl  Cl13  1  0.463  0.760  0.127  1.0
  Cl  Cl14  1  0.739  0.123  0.458  1.0
  Cl  Cl15  1  0.857  0.543  0.259  1.0
  Cl  Cl16  1  0.539  0.253  0.872  1.0
  Cl  Cl17  1  0.243  0.886  0.533  1.0
  Cl  Cl18  1  0.141  0.148  0.143  1.0
  O  O19  1  0.711  0.965  0.208  1.0
  O  O20  1  0.971  0.203  0.706  1.0
  O  O21  1  0.346  0.353  0.344  1.0
[/CIF]
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