The compound described by KBi is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Bi(1), two equivalent Bi(3), and three equivalent Bi(4) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one Bi(3), one Bi(4), two equivalent Bi(2), and three equivalent Bi(1) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to one Bi(3), three equivalent Bi(1), and three equivalent Bi(2) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one Bi(2), two equivalent Bi(4), and three equivalent Bi(3) atoms. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one K(1), three equivalent K(2), three equivalent K(3), and two equivalent Bi(2) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one K(4), two equivalent K(2), three equivalent K(3), and two equivalent Bi(1) atoms. In the third Bi site, Bi(3) is bonded in a 9-coordinate geometry to one K(2), one K(3), two equivalent K(1), three equivalent K(4), and two equivalent Bi(4) atoms. In the fourth Bi site, Bi(4) is bonded in a 8-coordinate geometry to one K(2), two equivalent K(4), three equivalent K(1), and two equivalent Bi(3) atoms. is represented by the CIF card [CIF]
data_KBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.307
_cell_length_b   13.608
_cell_length_c   14.430
_cell_angle_alpha   113.351
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1317.399
_cell_formula_units_Z   16
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  0.139  0.553  0.849  1.0
  K  K1  1  0.639  0.947  0.151  1.0
  K  K2  1  0.861  0.447  0.151  1.0
  K  K3  1  0.361  0.053  0.849  1.0
  K  K4  1  0.427  0.691  0.654  1.0
  K  K5  1  0.927  0.809  0.346  1.0
  K  K6  1  0.573  0.309  0.346  1.0
  K  K7  1  0.073  0.191  0.654  1.0
  K  K8  1  0.199  0.538  0.396  1.0
  K  K9  1  0.699  0.962  0.604  1.0
  K  K10  1  0.801  0.462  0.604  1.0
  K  K11  1  0.301  0.038  0.396  1.0
  K  K12  1  0.382  0.647  0.120  1.0
  K  K13  1  0.882  0.853  0.880  1.0
  K  K14  1  0.618  0.353  0.880  1.0
  K  K15  1  0.118  0.147  0.120  1.0
  Bi  Bi16  1  0.203  0.887  0.579  1.0
  Bi  Bi17  1  0.703  0.613  0.421  1.0
  Bi  Bi18  1  0.797  0.113  0.421  1.0
  Bi  Bi19  1  0.297  0.387  0.579  1.0
  Bi  Bi20  1  0.435  0.773  0.393  1.0
  Bi  Bi21  1  0.935  0.727  0.607  1.0
  Bi  Bi22  1  0.565  0.227  0.607  1.0
  Bi  Bi23  1  0.065  0.273  0.393  1.0
  Bi  Bi24  1  0.128  0.871  0.111  1.0
  Bi  Bi25  1  0.628  0.629  0.889  1.0
  Bi  Bi26  1  0.872  0.129  0.889  1.0
  Bi  Bi27  1  0.372  0.371  0.111  1.0
  Bi  Bi28  1  0.870  0.684  0.075  1.0
  Bi  Bi29  1  0.370  0.816  0.925  1.0
  Bi  Bi30  1  0.130  0.316  0.925  1.0
  Bi  Bi31  1  0.630  0.184  0.075  1.0
[/CIF]
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The compound described by KBi is Magnesium tetraboride-like structured and crystallizes in the monoclinic P2_1/c space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one Bi(1), two equivalent Bi(3), and three equivalent Bi(4) atoms. In the second K site, K(2) is bonded in a 7-coordinate geometry to one Bi(3), one Bi(4), two equivalent Bi(2), and three equivalent Bi(1) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to one Bi(3), three equivalent Bi(1), and three equivalent Bi(2) atoms. In the fourth K site, K(4) is bonded in a 6-coordinate geometry to one Bi(2), two equivalent Bi(4), and three equivalent Bi(3) atoms. There are four inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 9-coordinate geometry to one K(1), three equivalent K(2), three equivalent K(3), and two equivalent Bi(2) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one K(4), two equivalent K(2), three equivalent K(3), and two equivalent Bi(1) atoms. In the third Bi site, Bi(3) is bonded in a 9-coordinate geometry to one K(2), one K(3), two equivalent K(1), three equivalent K(4), and two equivalent Bi(4) atoms. In the fourth Bi site, Bi(4) is bonded in a 8-coordinate geometry to one K(2), two equivalent K(4), three equivalent K(1), and two equivalent Bi(3) atoms. is represented by the CIF card [CIF]
data_KBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.307
_cell_length_b   13.608
_cell_length_c   14.430
_cell_angle_alpha   113.351
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1317.399
_cell_formula_units_Z   16
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  0.139  0.553  0.849  1.0
  K  K1  1  0.639  0.947  0.151  1.0
  K  K2  1  0.861  0.447  0.151  1.0
  K  K3  1  0.361  0.053  0.849  1.0
  K  K4  1  0.427  0.691  0.654  1.0
  K  K5  1  0.927  0.809  0.346  1.0
  K  K6  1  0.573  0.309  0.346  1.0
  K  K7  1  0.073  0.191  0.654  1.0
  K  K8  1  0.199  0.538  0.396  1.0
  K  K9  1  0.699  0.962  0.604  1.0
  K  K10  1  0.801  0.462  0.604  1.0
  K  K11  1  0.301  0.038  0.396  1.0
  K  K12  1  0.382  0.647  0.120  1.0
  K  K13  1  0.882  0.853  0.880  1.0
  K  K14  1  0.618  0.353  0.880  1.0
  K  K15  1  0.118  0.147  0.120  1.0
  Bi  Bi16  1  0.203  0.887  0.579  1.0
  Bi  Bi17  1  0.703  0.613  0.421  1.0
  Bi  Bi18  1  0.797  0.113  0.421  1.0
  Bi  Bi19  1  0.297  0.387  0.579  1.0
  Bi  Bi20  1  0.435  0.773  0.393  1.0
  Bi  Bi21  1  0.935  0.727  0.607  1.0
  Bi  Bi22  1  0.565  0.227  0.607  1.0
  Bi  Bi23  1  0.065  0.273  0.393  1.0
  Bi  Bi24  1  0.128  0.871  0.111  1.0
  Bi  Bi25  1  0.628  0.629  0.889  1.0
  Bi  Bi26  1  0.872  0.129  0.889  1.0
  Bi  Bi27  1  0.372  0.371  0.111  1.0
  Bi  Bi28  1  0.870  0.684  0.075  1.0
  Bi  Bi29  1  0.370  0.816  0.925  1.0
  Bi  Bi30  1  0.130  0.316  0.925  1.0
  Bi  Bi31  1  0.630  0.184  0.075  1.0
[/CIF]
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