The crystal structure described by Mn23(BC2)2 crystallizes in the orthorhombic Imm2 space group. There are ten inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted bent 150 degrees geometry to one Mn(9), one B(1), and one C(1) atom. In the second Mn site, Mn(2) is bonded in a distorted bent 150 degrees geometry to one Mn(9) and two equivalent B(1) atoms. In the third Mn site, Mn(3) is bonded in a distorted bent 150 degrees geometry to one Mn(9), one C(1), and one C(2) atom. In the fourth Mn site, Mn(4) is bonded in a distorted bent 150 degrees geometry to one Mn(9) and two equivalent C(2) atoms. In the fifth Mn site, Mn(5) is bonded in a distorted bent 150 degrees geometry to one Mn(9), one B(1), and one C(2) atom. In the sixth Mn site, Mn(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(10), two equivalent B(1), and one C(1) atom. In the seventh Mn site, Mn(7) is bonded in a trigonal non-coplanar geometry to one Mn(10), one C(1), and two equivalent C(2) atoms. In the eighth Mn site, Mn(8) is bonded in a distorted trigonal non-coplanar geometry to one Mn(10), one B(1), one C(1), and one C(2) atom. In the ninth Mn site, Mn(9) is bonded in a 14-coordinate geometry to one Mn(2), one Mn(4), two equivalent Mn(5), four equivalent Mn(1), four equivalent Mn(3), and two equivalent B(1) atoms. In the tenth Mn site, Mn(10) is bonded in a distorted tetrahedral geometry to one Mn(6), one Mn(7), and two equivalent Mn(8) atoms. B(1) is bonded in a 8-coordinate geometry to one Mn(2), one Mn(5), one Mn(9), two equivalent Mn(1), two equivalent Mn(6), and two equivalent Mn(8) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 8-coordinate geometry to one Mn(6), one Mn(7), two equivalent Mn(1), two equivalent Mn(3), and two equivalent Mn(8) atoms. In the second C site, C(2) is bonded in a 8-coordinate geometry to one Mn(4), one Mn(5), two equivalent Mn(3), two equivalent Mn(7), and two equivalent Mn(8) atoms. is represented by the CIF file [CIF]
data_Mn23(BC2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.381
_cell_length_b   7.381
_cell_length_c   7.381
_cell_angle_alpha   90.241
_cell_angle_beta   59.864
_cell_angle_gamma   120.142
_symmetry_Int_Tables_number   1
_cell_volume   283.713
_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
  Mn  Mn0  1  0.003  0.006  0.656  1.0
  Mn  Mn1  1  0.337  0.341  0.656  1.0
  Mn  Mn2  1  0.348  0.000  0.652  1.0
  Mn  Mn3  1  0.002  0.337  0.999  1.0
  Mn  Mn4  1  0.664  0.999  0.999  1.0
  Mn  Mn5  1  0.666  0.000  0.334  1.0
  Mn  Mn6  1  0.003  0.659  0.004  1.0
  Mn  Mn7  1  0.664  0.663  0.335  1.0
  Mn  Mn8  1  0.654  0.659  0.006  1.0
  Mn  Mn9  1  0.002  0.001  0.335  1.0
  Mn  Mn10  1  0.337  0.994  0.004  1.0
  Mn  Mn11  1  0.335  0.341  0.006  1.0
  Mn  Mn12  1  0.761  0.379  0.859  1.0
  Mn  Mn13  1  0.235  0.383  0.382  1.0
  Mn  Mn14  1  0.238  0.855  0.380  1.0
  Mn  Mn15  1  0.765  0.382  0.380  1.0
  Mn  Mn16  1  0.235  0.617  0.148  1.0
  Mn  Mn17  1  0.761  0.621  0.618  1.0
  Mn  Mn18  1  0.765  0.145  0.617  1.0
  Mn  Mn19  1  0.238  0.618  0.617  1.0
  Mn  Mn20  1  0.014  0.000  0.986  1.0
  Mn  Mn21  1  0.496  0.250  0.254  1.0
  Mn  Mn22  1  0.496  0.750  0.754  1.0
  B  B23  1  0.543  0.273  0.730  1.0
  B  B24  1  0.998  0.727  0.730  1.0
  C  C25  1  0.998  0.277  0.725  1.0
  C  C26  1  0.447  0.724  0.278  1.0
  C  C27  1  0.998  0.276  0.278  1.0
  C  C28  1  0.998  0.723  0.280  1.0
[/CIF]
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The crystal structure described by Mn23(BC2)2 crystallizes in the orthorhombic Imm2 space group. There are ten inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted bent 150 degrees geometry to one Mn(9), one B(1), and one C(1) atom. In the second Mn site, Mn(2) is bonded in a distorted bent 150 degrees geometry to one Mn(9) and two equivalent B(1) atoms. In the third Mn site, Mn(3) is bonded in a distorted bent 150 degrees geometry to one Mn(9), one C(1), and one C(2) atom. In the fourth Mn site, Mn(4) is bonded in a distorted bent 150 degrees geometry to one Mn(9) and two equivalent C(2) atoms. In the fifth Mn site, Mn(5) is bonded in a distorted bent 150 degrees geometry to one Mn(9), one B(1), and one C(2) atom. In the sixth Mn site, Mn(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(10), two equivalent B(1), and one C(1) atom. In the seventh Mn site, Mn(7) is bonded in a trigonal non-coplanar geometry to one Mn(10), one C(1), and two equivalent C(2) atoms. In the eighth Mn site, Mn(8) is bonded in a distorted trigonal non-coplanar geometry to one Mn(10), one B(1), one C(1), and one C(2) atom. In the ninth Mn site, Mn(9) is bonded in a 14-coordinate geometry to one Mn(2), one Mn(4), two equivalent Mn(5), four equivalent Mn(1), four equivalent Mn(3), and two equivalent B(1) atoms. In the tenth Mn site, Mn(10) is bonded in a distorted tetrahedral geometry to one Mn(6), one Mn(7), and two equivalent Mn(8) atoms. B(1) is bonded in a 8-coordinate geometry to one Mn(2), one Mn(5), one Mn(9), two equivalent Mn(1), two equivalent Mn(6), and two equivalent Mn(8) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a 8-coordinate geometry to one Mn(6), one Mn(7), two equivalent Mn(1), two equivalent Mn(3), and two equivalent Mn(8) atoms. In the second C site, C(2) is bonded in a 8-coordinate geometry to one Mn(4), one Mn(5), two equivalent Mn(3), two equivalent Mn(7), and two equivalent Mn(8) atoms. is represented by the CIF file [CIF]
data_Mn23(BC2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.381
_cell_length_b   7.381
_cell_length_c   7.381
_cell_angle_alpha   90.241
_cell_angle_beta   59.864
_cell_angle_gamma   120.142
_symmetry_Int_Tables_number   1
_cell_volume   283.713
_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
  Mn  Mn0  1  0.003  0.006  0.656  1.0
  Mn  Mn1  1  0.337  0.341  0.656  1.0
  Mn  Mn2  1  0.348  0.000  0.652  1.0
  Mn  Mn3  1  0.002  0.337  0.999  1.0
  Mn  Mn4  1  0.664  0.999  0.999  1.0
  Mn  Mn5  1  0.666  0.000  0.334  1.0
  Mn  Mn6  1  0.003  0.659  0.004  1.0
  Mn  Mn7  1  0.664  0.663  0.335  1.0
  Mn  Mn8  1  0.654  0.659  0.006  1.0
  Mn  Mn9  1  0.002  0.001  0.335  1.0
  Mn  Mn10  1  0.337  0.994  0.004  1.0
  Mn  Mn11  1  0.335  0.341  0.006  1.0
  Mn  Mn12  1  0.761  0.379  0.859  1.0
  Mn  Mn13  1  0.235  0.383  0.382  1.0
  Mn  Mn14  1  0.238  0.855  0.380  1.0
  Mn  Mn15  1  0.765  0.382  0.380  1.0
  Mn  Mn16  1  0.235  0.617  0.148  1.0
  Mn  Mn17  1  0.761  0.621  0.618  1.0
  Mn  Mn18  1  0.765  0.145  0.617  1.0
  Mn  Mn19  1  0.238  0.618  0.617  1.0
  Mn  Mn20  1  0.014  0.000  0.986  1.0
  Mn  Mn21  1  0.496  0.250  0.254  1.0
  Mn  Mn22  1  0.496  0.750  0.754  1.0
  B  B23  1  0.543  0.273  0.730  1.0
  B  B24  1  0.998  0.727  0.730  1.0
  C  C25  1  0.998  0.277  0.725  1.0
  C  C26  1  0.447  0.724  0.278  1.0
  C  C27  1  0.998  0.276  0.278  1.0
  C  C28  1  0.998  0.723  0.280  1.0
[/CIF]
.