The crystal structure described by K2ReH9 crystallizes in the hexagonal P-62m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to two equivalent H(2), four equivalent H(1), and four equivalent H(3) atoms. In the second K site, K(2) is bonded in a 14-coordinate geometry to two equivalent H(3), four equivalent H(4), and eight equivalent H(1) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 9-coordinate geometry to three equivalent H(4) and six equivalent H(1) atoms. In the second Re site, Re(2) is bonded in a 9-coordinate geometry to three equivalent H(2) and six equivalent H(3) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Re(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to two equivalent K(1) and one Re(2) atom. In the third H site, H(3) is bonded to one K(2), two equivalent K(1), and one Re(2) atom to form a mixture of distorted corner and edge-sharing HK3Re tetrahedra. In the fourth H site, H(4) is bonded in a single-bond geometry to two equivalent K(2) and one Re(1) atom. is represented by the CIF card [CIF]
data_K2ReH9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.506
_cell_length_b   9.506
_cell_length_c   5.530
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   432.751
_cell_formula_units_Z   3
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  0.000  0.262  0.500  1.0
  K  K1  1  0.738  0.738  0.500  1.0
  K  K2  1  0.262  1.000  0.500  1.0
  K  K3  1  0.000  0.592  0.000  1.0
  K  K4  1  0.409  0.409  0.000  1.0
  K  K5  1  0.591  1.000  0.000  1.0
  Re  Re6  1  0.667  0.333  0.500  1.0
  Re  Re7  1  0.333  0.667  0.500  1.0
  Re  Re8  1  0.000  1.000  0.000  1.0
  H  H9  1  0.777  0.308  0.721  1.0
  H  H10  1  0.692  0.469  0.721  1.0
  H  H11  1  0.531  0.223  0.721  1.0
  H  H12  1  0.223  0.531  0.279  1.0
  H  H13  1  0.531  0.223  0.279  1.0
  H  H14  1  0.777  0.308  0.279  1.0
  H  H15  1  0.692  0.469  0.279  1.0
  H  H16  1  0.308  0.777  0.721  1.0
  H  H17  1  0.469  0.692  0.721  1.0
  H  H18  1  0.176  1.000  1.000  1.0
  H  H19  1  0.824  0.824  1.000  1.0
  H  H20  1  0.000  0.176  1.000  1.0
  H  H21  1  0.873  1.000  0.215  1.0
  H  H22  1  0.127  0.127  0.785  1.0
  H  H23  1  0.000  0.873  0.785  1.0
  H  H24  1  0.000  0.873  0.215  1.0
  H  H25  1  0.127  0.127  0.215  1.0
  H  H26  1  0.873  1.000  0.785  1.0
  H  H27  1  0.142  0.631  0.500  1.0
  H  H28  1  0.489  0.858  0.500  1.0
  H  H29  1  0.369  0.511  0.500  1.0
  H  H30  1  0.511  0.369  0.500  1.0
  H  H31  1  0.858  0.489  0.500  1.0
  H  H32  1  0.631  0.142  0.500  1.0
  H  H33  1  0.223  0.531  0.721  1.0
  H  H34  1  0.308  0.777  0.279  1.0
  H  H35  1  0.469  0.692  0.279  1.0
[/CIF]
.
The crystal structure described by K2ReH9 crystallizes in the hexagonal P-62m space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to two equivalent H(2), four equivalent H(1), and four equivalent H(3) atoms. In the second K site, K(2) is bonded in a 14-coordinate geometry to two equivalent H(3), four equivalent H(4), and eight equivalent H(1) atoms. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 9-coordinate geometry to three equivalent H(4) and six equivalent H(1) atoms. In the second Re site, Re(2) is bonded in a 9-coordinate geometry to three equivalent H(2) and six equivalent H(3) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a 4-coordinate geometry to one K(1), two equivalent K(2), and one Re(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to two equivalent K(1) and one Re(2) atom. In the third H site, H(3) is bonded to one K(2), two equivalent K(1), and one Re(2) atom to form a mixture of distorted corner and edge-sharing HK3Re tetrahedra. In the fourth H site, H(4) is bonded in a single-bond geometry to two equivalent K(2) and one Re(1) atom. is represented by the CIF card [CIF]
data_K2ReH9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.506
_cell_length_b   9.506
_cell_length_c   5.530
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   432.751
_cell_formula_units_Z   3
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  0.000  0.262  0.500  1.0
  K  K1  1  0.738  0.738  0.500  1.0
  K  K2  1  0.262  1.000  0.500  1.0
  K  K3  1  0.000  0.592  0.000  1.0
  K  K4  1  0.409  0.409  0.000  1.0
  K  K5  1  0.591  1.000  0.000  1.0
  Re  Re6  1  0.667  0.333  0.500  1.0
  Re  Re7  1  0.333  0.667  0.500  1.0
  Re  Re8  1  0.000  1.000  0.000  1.0
  H  H9  1  0.777  0.308  0.721  1.0
  H  H10  1  0.692  0.469  0.721  1.0
  H  H11  1  0.531  0.223  0.721  1.0
  H  H12  1  0.223  0.531  0.279  1.0
  H  H13  1  0.531  0.223  0.279  1.0
  H  H14  1  0.777  0.308  0.279  1.0
  H  H15  1  0.692  0.469  0.279  1.0
  H  H16  1  0.308  0.777  0.721  1.0
  H  H17  1  0.469  0.692  0.721  1.0
  H  H18  1  0.176  1.000  1.000  1.0
  H  H19  1  0.824  0.824  1.000  1.0
  H  H20  1  0.000  0.176  1.000  1.0
  H  H21  1  0.873  1.000  0.215  1.0
  H  H22  1  0.127  0.127  0.785  1.0
  H  H23  1  0.000  0.873  0.785  1.0
  H  H24  1  0.000  0.873  0.215  1.0
  H  H25  1  0.127  0.127  0.215  1.0
  H  H26  1  0.873  1.000  0.785  1.0
  H  H27  1  0.142  0.631  0.500  1.0
  H  H28  1  0.489  0.858  0.500  1.0
  H  H29  1  0.369  0.511  0.500  1.0
  H  H30  1  0.511  0.369  0.500  1.0
  H  H31  1  0.858  0.489  0.500  1.0
  H  H32  1  0.631  0.142  0.500  1.0
  H  H33  1  0.223  0.531  0.721  1.0
  H  H34  1  0.308  0.777  0.279  1.0
  H  H35  1  0.469  0.692  0.279  1.0
[/CIF]
.