The crystal structure described by Ce4Mn3Sb8 crystallizes in the tetragonal P-4m2 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 10-coordinate geometry to two equivalent Mn(2), two equivalent Sb(3), two equivalent Sb(4), and four equivalent Sb(2) atoms. In the second Ce site, Ce(2) is bonded to two equivalent Mn(1), two equivalent Mn(3), two equivalent Sb(3), two equivalent Sb(4), and four equivalent Sb(1) atoms to form distorted CeMn4Sb8 cuboctahedra that share corners with four equivalent Ce(2)Mn4Sb8 cuboctahedra, corners with four equivalent Mn(1)Ce4Sb4 tetrahedra, corners with four equivalent Mn(3)Ce4Sb4 tetrahedra, edges with four equivalent Ce(2)Mn4Sb8 cuboctahedra, edges with two equivalent Mn(1)Ce4Sb4 tetrahedra, edges with two equivalent Mn(3)Ce4Sb4 tetrahedra, and faces with four equivalent Ce(2)Mn4Sb8 cuboctahedra. In the third Ce site, Ce(2) is bonded to two equivalent Mn(1), two equivalent Mn(3), two equivalent Sb(3), two equivalent Sb(4), and four equivalent Sb(1) atoms to form distorted CeMn4Sb8 cuboctahedra that share corners with four equivalent Ce(2)Mn4Sb8 cuboctahedra, corners with four equivalent Mn(1)Ce4Sb4 tetrahedra, corners with four equivalent Mn(3)Ce4Sb4 tetrahedra, edges with four equivalent Ce(2)Mn4Sb8 cuboctahedra, edges with two equivalent Mn(1)Ce4Sb4 tetrahedra, edges with two equivalent Mn(3)Ce4Sb4 tetrahedra, and faces with four equivalent Ce(2)Mn4Sb8 cuboctahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four Ce(2,2) and four equivalent Sb(1) atoms to form distorted MnCe4Sb4 tetrahedra that share corners with eight Ce(2,2)Mn4Sb8 cuboctahedra; edges with four Ce(2,2)Mn4Sb8 cuboctahedra; edges with four equivalent Mn(1)Ce4Sb4 tetrahedra; and faces with four equivalent Mn(3)Ce4Sb4 tetrahedra. In the second Mn site, Mn(2) is bonded to four equivalent Ce(1) and four equivalent Sb(2) atoms to form distorted edge-sharing MnCe4Sb4 tetrahedra. In the third Mn site, Mn(3) is bonded to four Ce(2,2) and four equivalent Sb(1) atoms to form distorted MnCe4Sb4 tetrahedra that share corners with eight Ce(2,2)Mn4Sb8 cuboctahedra; edges with four Ce(2,2)Mn4Sb8 cuboctahedra; edges with four equivalent Mn(3)Ce4Sb4 tetrahedra; and faces with four equivalent Mn(1)Ce4Sb4 tetrahedra. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent Ce(2), two equivalent Mn(1), and two equivalent Mn(3) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to four equivalent Ce(1) and two equivalent Mn(2) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and four equivalent Sb(4) atoms. In the fourth Sb site, Sb(4) is bonded in a 8-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and four equivalent Sb(3) atoms. is represented by the CIF card [CIF]
data_Ce4Mn3Sb8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.380
_cell_length_b   4.380
_cell_length_c   20.269
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   388.889
_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
  Ce  Ce0  1  0.750  0.750  0.125  1.0
  Ce  Ce1  1  0.750  0.750  0.630  1.0
  Ce  Ce2  1  0.250  0.250  0.370  1.0
  Ce  Ce3  1  0.250  0.250  0.875  1.0
  Mn  Mn4  1  0.750  0.250  0.500  1.0
  Mn  Mn5  1  0.250  0.750  0.000  1.0
  Mn  Mn6  1  0.250  0.750  0.500  1.0
  Sb  Sb7  1  0.750  0.750  0.418  1.0
  Sb  Sb8  1  0.750  0.750  0.926  1.0
  Sb  Sb9  1  0.250  0.250  0.074  1.0
  Sb  Sb10  1  0.250  0.250  0.582  1.0
  Sb  Sb11  1  0.750  0.250  0.248  1.0
  Sb  Sb12  1  0.750  0.250  0.752  1.0
  Sb  Sb13  1  0.250  0.750  0.247  1.0
  Sb  Sb14  1  0.250  0.750  0.753  1.0
[/CIF]
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The crystal structure described by Ce4Mn3Sb8 crystallizes in the tetragonal P-4m2 space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 10-coordinate geometry to two equivalent Mn(2), two equivalent Sb(3), two equivalent Sb(4), and four equivalent Sb(2) atoms. In the second Ce site, Ce(2) is bonded to two equivalent Mn(1), two equivalent Mn(3), two equivalent Sb(3), two equivalent Sb(4), and four equivalent Sb(1) atoms to form distorted CeMn4Sb8 cuboctahedra that share corners with four equivalent Ce(2)Mn4Sb8 cuboctahedra, corners with four equivalent Mn(1)Ce4Sb4 tetrahedra, corners with four equivalent Mn(3)Ce4Sb4 tetrahedra, edges with four equivalent Ce(2)Mn4Sb8 cuboctahedra, edges with two equivalent Mn(1)Ce4Sb4 tetrahedra, edges with two equivalent Mn(3)Ce4Sb4 tetrahedra, and faces with four equivalent Ce(2)Mn4Sb8 cuboctahedra. In the third Ce site, Ce(2) is bonded to two equivalent Mn(1), two equivalent Mn(3), two equivalent Sb(3), two equivalent Sb(4), and four equivalent Sb(1) atoms to form distorted CeMn4Sb8 cuboctahedra that share corners with four equivalent Ce(2)Mn4Sb8 cuboctahedra, corners with four equivalent Mn(1)Ce4Sb4 tetrahedra, corners with four equivalent Mn(3)Ce4Sb4 tetrahedra, edges with four equivalent Ce(2)Mn4Sb8 cuboctahedra, edges with two equivalent Mn(1)Ce4Sb4 tetrahedra, edges with two equivalent Mn(3)Ce4Sb4 tetrahedra, and faces with four equivalent Ce(2)Mn4Sb8 cuboctahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four Ce(2,2) and four equivalent Sb(1) atoms to form distorted MnCe4Sb4 tetrahedra that share corners with eight Ce(2,2)Mn4Sb8 cuboctahedra; edges with four Ce(2,2)Mn4Sb8 cuboctahedra; edges with four equivalent Mn(1)Ce4Sb4 tetrahedra; and faces with four equivalent Mn(3)Ce4Sb4 tetrahedra. In the second Mn site, Mn(2) is bonded to four equivalent Ce(1) and four equivalent Sb(2) atoms to form distorted edge-sharing MnCe4Sb4 tetrahedra. In the third Mn site, Mn(3) is bonded to four Ce(2,2) and four equivalent Sb(1) atoms to form distorted MnCe4Sb4 tetrahedra that share corners with eight Ce(2,2)Mn4Sb8 cuboctahedra; edges with four Ce(2,2)Mn4Sb8 cuboctahedra; edges with four equivalent Mn(3)Ce4Sb4 tetrahedra; and faces with four equivalent Mn(1)Ce4Sb4 tetrahedra. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent Ce(2), two equivalent Mn(1), and two equivalent Mn(3) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to four equivalent Ce(1) and two equivalent Mn(2) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and four equivalent Sb(4) atoms. In the fourth Sb site, Sb(4) is bonded in a 8-coordinate geometry to two equivalent Ce(1), two equivalent Ce(2), and four equivalent Sb(3) atoms. is represented by the CIF card [CIF]
data_Ce4Mn3Sb8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.380
_cell_length_b   4.380
_cell_length_c   20.269
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   388.889
_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
  Ce  Ce0  1  0.750  0.750  0.125  1.0
  Ce  Ce1  1  0.750  0.750  0.630  1.0
  Ce  Ce2  1  0.250  0.250  0.370  1.0
  Ce  Ce3  1  0.250  0.250  0.875  1.0
  Mn  Mn4  1  0.750  0.250  0.500  1.0
  Mn  Mn5  1  0.250  0.750  0.000  1.0
  Mn  Mn6  1  0.250  0.750  0.500  1.0
  Sb  Sb7  1  0.750  0.750  0.418  1.0
  Sb  Sb8  1  0.750  0.750  0.926  1.0
  Sb  Sb9  1  0.250  0.250  0.074  1.0
  Sb  Sb10  1  0.250  0.250  0.582  1.0
  Sb  Sb11  1  0.750  0.250  0.248  1.0
  Sb  Sb12  1  0.750  0.250  0.752  1.0
  Sb  Sb13  1  0.250  0.750  0.247  1.0
  Sb  Sb14  1  0.250  0.750  0.753  1.0
[/CIF]
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