The material structure described by Sm2(MnBi2)3 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to one Bi(2), one Bi(3), two equivalent Bi(4), two equivalent Bi(6), and three equivalent Bi(5) atoms. In the second Sm site, Sm(2) is bonded in a 9-coordinate geometry to one Bi(4), two equivalent Bi(6), three equivalent Bi(1), and three equivalent Bi(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 9-coordinate geometry to two equivalent Mn(2), two equivalent Mn(3), one Bi(3), one Bi(4), one Bi(6), and two equivalent Bi(1) atoms. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one Mn(3), two equivalent Mn(1), one Bi(1), one Bi(5), and two equivalent Bi(6) atoms. In the third Mn site, Mn(3) is bonded in a 9-coordinate geometry to one Mn(2), two equivalent Mn(1), one Bi(1), two equivalent Bi(4), and three equivalent Bi(3) atoms. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to three equivalent Sm(2), one Mn(2), one Mn(3), and two equivalent Mn(1) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one Sm(1), three equivalent Sm(2), and two equivalent Bi(4) atoms. In the third Bi site, Bi(3) is bonded in a 4-coordinate geometry to one Sm(1), one Mn(1), and three equivalent Mn(3) atoms. In the fourth Bi site, Bi(4) is bonded in a 8-coordinate geometry to one Sm(2), two equivalent Sm(1), one Mn(1), two equivalent Mn(3), and two equivalent Bi(2) atoms. In the fifth Bi site, Bi(5) is bonded in a 4-coordinate geometry to three equivalent Sm(1) and one Mn(2) atom. In the sixth Bi site, Bi(6) is bonded in a 7-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), one Mn(1), and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2(MnBi2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.462
_cell_length_b   10.317
_cell_length_c   13.330
_cell_angle_alpha   73.466
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   588.250
_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
  Sm  Sm0  1  0.250  0.934  0.321  1.0
  Sm  Sm1  1  0.750  0.747  0.982  1.0
  Sm  Sm2  1  0.750  0.066  0.679  1.0
  Sm  Sm3  1  0.250  0.253  0.018  1.0
  Mn  Mn4  1  0.250  0.536  0.762  1.0
  Mn  Mn5  1  0.250  0.298  0.286  1.0
  Mn  Mn6  1  0.250  0.539  0.339  1.0
  Mn  Mn7  1  0.750  0.702  0.714  1.0
  Mn  Mn8  1  0.750  0.464  0.238  1.0
  Mn  Mn9  1  0.750  0.461  0.661  1.0
  Bi  Bi10  1  0.250  0.524  0.107  1.0
  Bi  Bi11  1  0.750  0.082  0.921  1.0
  Bi  Bi12  1  0.750  0.379  0.462  1.0
  Bi  Bi13  1  0.250  0.621  0.538  1.0
  Bi  Bi14  1  0.250  0.918  0.079  1.0
  Bi  Bi15  1  0.750  0.728  0.255  1.0
  Bi  Bi16  1  0.250  0.118  0.489  1.0
  Bi  Bi17  1  0.750  0.174  0.211  1.0
  Bi  Bi18  1  0.250  0.826  0.789  1.0
  Bi  Bi19  1  0.750  0.882  0.511  1.0
  Bi  Bi20  1  0.750  0.476  0.893  1.0
  Bi  Bi21  1  0.250  0.272  0.745  1.0
[/CIF]
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The material structure described by Sm2(MnBi2)3 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 9-coordinate geometry to one Bi(2), one Bi(3), two equivalent Bi(4), two equivalent Bi(6), and three equivalent Bi(5) atoms. In the second Sm site, Sm(2) is bonded in a 9-coordinate geometry to one Bi(4), two equivalent Bi(6), three equivalent Bi(1), and three equivalent Bi(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 9-coordinate geometry to two equivalent Mn(2), two equivalent Mn(3), one Bi(3), one Bi(4), one Bi(6), and two equivalent Bi(1) atoms. In the second Mn site, Mn(2) is bonded in a 4-coordinate geometry to one Mn(3), two equivalent Mn(1), one Bi(1), one Bi(5), and two equivalent Bi(6) atoms. In the third Mn site, Mn(3) is bonded in a 9-coordinate geometry to one Mn(2), two equivalent Mn(1), one Bi(1), two equivalent Bi(4), and three equivalent Bi(3) atoms. There are six inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to three equivalent Sm(2), one Mn(2), one Mn(3), and two equivalent Mn(1) atoms. In the second Bi site, Bi(2) is bonded in a 4-coordinate geometry to one Sm(1), three equivalent Sm(2), and two equivalent Bi(4) atoms. In the third Bi site, Bi(3) is bonded in a 4-coordinate geometry to one Sm(1), one Mn(1), and three equivalent Mn(3) atoms. In the fourth Bi site, Bi(4) is bonded in a 8-coordinate geometry to one Sm(2), two equivalent Sm(1), one Mn(1), two equivalent Mn(3), and two equivalent Bi(2) atoms. In the fifth Bi site, Bi(5) is bonded in a 4-coordinate geometry to three equivalent Sm(1) and one Mn(2) atom. In the sixth Bi site, Bi(6) is bonded in a 7-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), one Mn(1), and two equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2(MnBi2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.462
_cell_length_b   10.317
_cell_length_c   13.330
_cell_angle_alpha   73.466
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   588.250
_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
  Sm  Sm0  1  0.250  0.934  0.321  1.0
  Sm  Sm1  1  0.750  0.747  0.982  1.0
  Sm  Sm2  1  0.750  0.066  0.679  1.0
  Sm  Sm3  1  0.250  0.253  0.018  1.0
  Mn  Mn4  1  0.250  0.536  0.762  1.0
  Mn  Mn5  1  0.250  0.298  0.286  1.0
  Mn  Mn6  1  0.250  0.539  0.339  1.0
  Mn  Mn7  1  0.750  0.702  0.714  1.0
  Mn  Mn8  1  0.750  0.464  0.238  1.0
  Mn  Mn9  1  0.750  0.461  0.661  1.0
  Bi  Bi10  1  0.250  0.524  0.107  1.0
  Bi  Bi11  1  0.750  0.082  0.921  1.0
  Bi  Bi12  1  0.750  0.379  0.462  1.0
  Bi  Bi13  1  0.250  0.621  0.538  1.0
  Bi  Bi14  1  0.250  0.918  0.079  1.0
  Bi  Bi15  1  0.750  0.728  0.255  1.0
  Bi  Bi16  1  0.250  0.118  0.489  1.0
  Bi  Bi17  1  0.750  0.174  0.211  1.0
  Bi  Bi18  1  0.250  0.826  0.789  1.0
  Bi  Bi19  1  0.750  0.882  0.511  1.0
  Bi  Bi20  1  0.750  0.476  0.893  1.0
  Bi  Bi21  1  0.250  0.272  0.745  1.0
[/CIF]
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