data_KBaRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   9.41
_cell_angle_alpha   102.5
_cell_angle_beta   102.5
_cell_angle_gamma   59.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaRe2
_chemical_formula_sum   'K1 Ba1 Re2'
_cell_volume   141.13
_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  K1  1  0.92  0.0  0.43  1.0
  Ba  Ba0  1  0.51  0.0  0.52  1.0
  Re  Re2  1  0.0  0.0  0.05  1.0
  Re  Re3  1  0.09  0.0  0.77  1.0

data_KBaRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.21
_cell_length_b   4.24
_cell_length_c   9.41
_cell_angle_alpha   102.5
_cell_angle_beta   90.0
_cell_angle_gamma   119.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KBaRe2
_chemical_formula_sum   'K1 Ba1 Re2'
_cell_volume   141.13
_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  0.0  0.08  0.57  1.0
  Ba  Ba1  1  0.0  0.49  0.48  1.0
  Re  Re2  1  0.0  0.91  0.23  1.0
  Re  Re3  1  0.0  1.0  0.95  1.0

K Ba Re Re
KBaRe2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Re(1), and one Re(2) atom. There is one shorter (2.12 Å) and one longer (2.46 Å) K(1)-Ba(1) bond length. The K(1)-Re(1) bond length is 3.63 Å. The K(1)-Re(2) bond length is 3.08 Å. Ba(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and three equivalent Re(2) atoms. There are a spread of Ba(1)-Re(2) bond distances ranging from 2.97-4.03 Å. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a linear geometry to one K(1) and one Re(2) atom. The Re(1)-Re(2) bond length is 2.81 Å. In the second Re site, Re(2) is bonded in a 5-coordinate geometry to one K(1), three equivalent Ba(1), and one Re(1) atom.