The compound described by Zn3Bi3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one N(1), one N(5), and two equivalent N(3) atoms. In the second Zn site, Zn(2) is bonded in a distorted T-shaped geometry to one N(2) and two equivalent N(4) atoms. In the third Zn site, Zn(3) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(5) atom. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one N(1), one N(4), and two equivalent N(2) atoms to form edge-sharing BiN4 trigonal pyramids. In the second Bi site, Bi(2) is bonded in a distorted T-shaped geometry to one N(3), one N(4), and one N(5) atom. In the third Bi site, Bi(3) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one N(3), and one N(5) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded to one Zn(1), one Zn(3), one Bi(1), and one Bi(3) atom to form corner-sharing NZn2Bi2 tetrahedra. In the second N site, N(2) is bonded to one Zn(2), one Zn(3), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing NZn2Bi2 tetrahedra. In the third N site, N(3) is bonded in a rectangular see-saw-like geometry to two equivalent Zn(1), one Bi(2), and one Bi(3) atom. In the fourth N site, N(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Zn(2), one Bi(1), and one Bi(2) atom. In the fifth N site, N(5) is bonded to one Zn(1), one Zn(3), one Bi(2), and one Bi(3) atom to form distorted corner-sharing NZn2Bi2 tetrahedra. is represented by the CIF card [CIF]
data_Zn3Bi3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.403
_cell_length_b   6.321
_cell_length_c   9.497
_cell_angle_alpha   92.959
_cell_angle_beta   99.775
_cell_angle_gamma   86.869
_symmetry_Int_Tables_number   1
_cell_volume   377.884
_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
  Zn  Zn0  1  0.899  0.298  0.956  1.0
  Zn  Zn1  1  0.101  0.702  0.044  1.0
  Zn  Zn2  1  0.683  0.885  0.485  1.0
  Zn  Zn3  1  0.317  0.115  0.515  1.0
  Zn  Zn4  1  0.052  0.904  0.719  1.0
  Zn  Zn5  1  0.948  0.096  0.281  1.0
  Bi  Bi6  1  0.803  0.384  0.578  1.0
  Bi  Bi7  1  0.197  0.616  0.422  1.0
  Bi  Bi8  1  0.544  0.876  0.840  1.0
  Bi  Bi9  1  0.456  0.124  0.160  1.0
  Bi  Bi10  1  0.692  0.613  0.165  1.0
  Bi  Bi11  1  0.308  0.387  0.835  1.0
  N  N12  1  0.996  0.213  0.770  1.0
  N  N13  1  0.004  0.787  0.230  1.0
  N  N14  1  0.941  0.717  0.550  1.0
  N  N15  1  0.059  0.283  0.450  1.0
  N  N16  1  0.761  0.618  0.945  1.0
  N  N17  1  0.239  0.382  0.055  1.0
  N  N18  1  0.449  0.848  0.604  1.0
  N  N19  1  0.551  0.152  0.396  1.0
  N  N20  1  0.235  0.737  0.870  1.0
  N  N21  1  0.765  0.263  0.130  1.0
[/CIF]
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The compound described by Zn3Bi3N5 crystallizes in the triclinic P-1 space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a distorted rectangular see-saw-like geometry to one N(1), one N(5), and two equivalent N(3) atoms. In the second Zn site, Zn(2) is bonded in a distorted T-shaped geometry to one N(2) and two equivalent N(4) atoms. In the third Zn site, Zn(3) is bonded in a trigonal planar geometry to one N(1), one N(2), and one N(5) atom. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded to one N(1), one N(4), and two equivalent N(2) atoms to form edge-sharing BiN4 trigonal pyramids. In the second Bi site, Bi(2) is bonded in a distorted T-shaped geometry to one N(3), one N(4), and one N(5) atom. In the third Bi site, Bi(3) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one N(3), and one N(5) atom. There are five inequivalent N sites. In the first N site, N(1) is bonded to one Zn(1), one Zn(3), one Bi(1), and one Bi(3) atom to form corner-sharing NZn2Bi2 tetrahedra. In the second N site, N(2) is bonded to one Zn(2), one Zn(3), and two equivalent Bi(1) atoms to form a mixture of distorted corner and edge-sharing NZn2Bi2 tetrahedra. In the third N site, N(3) is bonded in a rectangular see-saw-like geometry to two equivalent Zn(1), one Bi(2), and one Bi(3) atom. In the fourth N site, N(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Zn(2), one Bi(1), and one Bi(2) atom. In the fifth N site, N(5) is bonded to one Zn(1), one Zn(3), one Bi(2), and one Bi(3) atom to form distorted corner-sharing NZn2Bi2 tetrahedra. is represented by the CIF card [CIF]
data_Zn3Bi3N5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.403
_cell_length_b   6.321
_cell_length_c   9.497
_cell_angle_alpha   92.959
_cell_angle_beta   99.775
_cell_angle_gamma   86.869
_symmetry_Int_Tables_number   1
_cell_volume   377.884
_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
  Zn  Zn0  1  0.899  0.298  0.956  1.0
  Zn  Zn1  1  0.101  0.702  0.044  1.0
  Zn  Zn2  1  0.683  0.885  0.485  1.0
  Zn  Zn3  1  0.317  0.115  0.515  1.0
  Zn  Zn4  1  0.052  0.904  0.719  1.0
  Zn  Zn5  1  0.948  0.096  0.281  1.0
  Bi  Bi6  1  0.803  0.384  0.578  1.0
  Bi  Bi7  1  0.197  0.616  0.422  1.0
  Bi  Bi8  1  0.544  0.876  0.840  1.0
  Bi  Bi9  1  0.456  0.124  0.160  1.0
  Bi  Bi10  1  0.692  0.613  0.165  1.0
  Bi  Bi11  1  0.308  0.387  0.835  1.0
  N  N12  1  0.996  0.213  0.770  1.0
  N  N13  1  0.004  0.787  0.230  1.0
  N  N14  1  0.941  0.717  0.550  1.0
  N  N15  1  0.059  0.283  0.450  1.0
  N  N16  1  0.761  0.618  0.945  1.0
  N  N17  1  0.239  0.382  0.055  1.0
  N  N18  1  0.449  0.848  0.604  1.0
  N  N19  1  0.551  0.152  0.396  1.0
  N  N20  1  0.235  0.737  0.870  1.0
  N  N21  1  0.765  0.263  0.130  1.0
[/CIF]
.