The material described by Co3Bi3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted see-saw-like geometry to one N(1), one N(5), and two equivalent N(3) atoms. In the second Co site, Co(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing CoN4 tetrahedra. In the third Co site, Co(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of corner and edge-sharing CoN4 tetrahedra. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one N(2) atom. In the second Bi site, Bi(2) is bonded in a distorted L-shaped geometry to two equivalent N(5) atoms. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(4), and two equivalent N(3) atoms. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(3), and one Bi(3) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Co(2), one Co(3), one Bi(1), and one Bi(3) atom. In the third N site, N(3) is bonded to two equivalent Co(1) and two equivalent Bi(3) atoms to form distorted edge-sharing NCo2Bi2 tetrahedra. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Co(3), two equivalent Co(2), and one Bi(3) atom. In the fifth N site, N(5) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(3), and two equivalent Bi(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co3Bi3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.585
_cell_length_b   7.996
_cell_length_c   8.242
_cell_angle_alpha   105.389
_cell_angle_beta   105.499
_cell_angle_gamma   102.806
_symmetry_Int_Tables_number   1
_cell_volume   324.573
_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
  Co  Co0  1  0.983  0.320  0.012  1.0
  Co  Co1  1  0.017  0.680  0.988  1.0
  Co  Co2  1  0.676  0.979  0.617  1.0
  Co  Co3  1  0.324  0.021  0.383  1.0
  Co  Co4  1  0.126  0.967  0.723  1.0
  Co  Co5  1  0.874  0.033  0.277  1.0
  Bi  Bi6  1  0.804  0.514  0.618  1.0
  Bi  Bi7  1  0.196  0.486  0.382  1.0
  Bi  Bi8  1  0.601  0.842  0.873  1.0
  Bi  Bi9  1  0.399  0.158  0.127  1.0
  Bi  Bi10  1  0.657  0.649  0.238  1.0
  Bi  Bi11  1  0.343  0.351  0.762  1.0
  N  N12  1  0.972  0.156  0.795  1.0
  N  N13  1  0.028  0.844  0.205  1.0
  N  N14  1  0.833  0.783  0.568  1.0
  N  N15  1  0.167  0.217  0.432  1.0
  N  N16  1  0.781  0.470  0.009  1.0
  N  N17  1  0.219  0.530  0.991  1.0
  N  N18  1  0.371  0.013  0.624  1.0
  N  N19  1  0.629  0.987  0.376  1.0
  N  N20  1  0.206  0.867  0.914  1.0
  N  N21  1  0.794  0.133  0.086  1.0
[/CIF]
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The material described by Co3Bi3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted see-saw-like geometry to one N(1), one N(5), and two equivalent N(3) atoms. In the second Co site, Co(2) is bonded to one N(1), one N(2), and two equivalent N(4) atoms to form a mixture of distorted corner and edge-sharing CoN4 tetrahedra. In the third Co site, Co(3) is bonded to one N(1), one N(2), one N(4), and one N(5) atom to form a mixture of corner and edge-sharing CoN4 tetrahedra. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a single-bond geometry to one N(2) atom. In the second Bi site, Bi(2) is bonded in a distorted L-shaped geometry to two equivalent N(5) atoms. In the third Bi site, Bi(3) is bonded in a 5-coordinate geometry to one N(1), one N(2), one N(4), and two equivalent N(3) atoms. There are five inequivalent N sites. In the first N site, N(1) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(3), and one Bi(3) atom. In the second N site, N(2) is bonded in a 4-coordinate geometry to one Co(2), one Co(3), one Bi(1), and one Bi(3) atom. In the third N site, N(3) is bonded to two equivalent Co(1) and two equivalent Bi(3) atoms to form distorted edge-sharing NCo2Bi2 tetrahedra. In the fourth N site, N(4) is bonded in a 3-coordinate geometry to one Co(3), two equivalent Co(2), and one Bi(3) atom. In the fifth N site, N(5) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(3), and two equivalent Bi(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co3Bi3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.585
_cell_length_b   7.996
_cell_length_c   8.242
_cell_angle_alpha   105.389
_cell_angle_beta   105.499
_cell_angle_gamma   102.806
_symmetry_Int_Tables_number   1
_cell_volume   324.573
_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
  Co  Co0  1  0.983  0.320  0.012  1.0
  Co  Co1  1  0.017  0.680  0.988  1.0
  Co  Co2  1  0.676  0.979  0.617  1.0
  Co  Co3  1  0.324  0.021  0.383  1.0
  Co  Co4  1  0.126  0.967  0.723  1.0
  Co  Co5  1  0.874  0.033  0.277  1.0
  Bi  Bi6  1  0.804  0.514  0.618  1.0
  Bi  Bi7  1  0.196  0.486  0.382  1.0
  Bi  Bi8  1  0.601  0.842  0.873  1.0
  Bi  Bi9  1  0.399  0.158  0.127  1.0
  Bi  Bi10  1  0.657  0.649  0.238  1.0
  Bi  Bi11  1  0.343  0.351  0.762  1.0
  N  N12  1  0.972  0.156  0.795  1.0
  N  N13  1  0.028  0.844  0.205  1.0
  N  N14  1  0.833  0.783  0.568  1.0
  N  N15  1  0.167  0.217  0.432  1.0
  N  N16  1  0.781  0.470  0.009  1.0
  N  N17  1  0.219  0.530  0.991  1.0
  N  N18  1  0.371  0.013  0.624  1.0
  N  N19  1  0.629  0.987  0.376  1.0
  N  N20  1  0.206  0.867  0.914  1.0
  N  N21  1  0.794  0.133  0.086  1.0
[/CIF]
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