The compound described by La4Mn3Sb8 crystallizes in the tetragonal I-42m space group. La(1) is bonded in a 11-coordinate geometry to one Mn(1), two equivalent Mn(2), two equivalent Sb(1), two equivalent Sb(2), and four equivalent Sb(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent La(1) and four equivalent Sb(3) atoms to form face-sharing MnLa4Sb4 tetrahedra. In the second Mn site, Mn(2) is bonded to four equivalent La(1) and four equivalent Sb(3) atoms to form a mixture of edge and face-sharing MnLa4Sb4 tetrahedra. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Sb(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Sb(1) atoms. In the third Sb site, Sb(3) is bonded in a 7-coordinate geometry to four equivalent La(1), one Mn(1), and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_La4Mn3Sb8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.577
_cell_length_b   11.577
_cell_length_c   11.577
_cell_angle_alpha   148.587
_cell_angle_beta   148.587
_cell_angle_gamma   45.019
_symmetry_Int_Tables_number   1
_cell_volume   420.143
_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
  La  La0  1  0.621  0.119  0.000  1.0
  La  La1  1  0.119  0.621  0.000  1.0
  La  La2  1  0.881  0.881  0.501  1.0
  La  La3  1  0.379  0.379  0.499  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Mn  Mn6  1  0.000  0.500  0.500  1.0
  Sb  Sb7  1  0.250  0.250  0.000  1.0
  Sb  Sb8  1  0.750  0.750  0.000  1.0
  Sb  Sb9  1  0.250  0.750  0.500  1.0
  Sb  Sb10  1  0.750  0.250  0.500  1.0
  Sb  Sb11  1  0.326  0.822  0.000  1.0
  Sb  Sb12  1  0.822  0.326  0.000  1.0
  Sb  Sb13  1  0.178  0.178  0.504  1.0
  Sb  Sb14  1  0.674  0.674  0.496  1.0
[/CIF]
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The compound described by La4Mn3Sb8 crystallizes in the tetragonal I-42m space group. La(1) is bonded in a 11-coordinate geometry to one Mn(1), two equivalent Mn(2), two equivalent Sb(1), two equivalent Sb(2), and four equivalent Sb(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent La(1) and four equivalent Sb(3) atoms to form face-sharing MnLa4Sb4 tetrahedra. In the second Mn site, Mn(2) is bonded to four equivalent La(1) and four equivalent Sb(3) atoms to form a mixture of edge and face-sharing MnLa4Sb4 tetrahedra. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Sb(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Sb(1) atoms. In the third Sb site, Sb(3) is bonded in a 7-coordinate geometry to four equivalent La(1), one Mn(1), and two equivalent Mn(2) atoms. is represented by the CIF file [CIF]
data_La4Mn3Sb8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.577
_cell_length_b   11.577
_cell_length_c   11.577
_cell_angle_alpha   148.587
_cell_angle_beta   148.587
_cell_angle_gamma   45.019
_symmetry_Int_Tables_number   1
_cell_volume   420.143
_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
  La  La0  1  0.621  0.119  0.000  1.0
  La  La1  1  0.119  0.621  0.000  1.0
  La  La2  1  0.881  0.881  0.501  1.0
  La  La3  1  0.379  0.379  0.499  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Mn  Mn5  1  0.500  0.000  0.500  1.0
  Mn  Mn6  1  0.000  0.500  0.500  1.0
  Sb  Sb7  1  0.250  0.250  0.000  1.0
  Sb  Sb8  1  0.750  0.750  0.000  1.0
  Sb  Sb9  1  0.250  0.750  0.500  1.0
  Sb  Sb10  1  0.750  0.250  0.500  1.0
  Sb  Sb11  1  0.326  0.822  0.000  1.0
  Sb  Sb12  1  0.822  0.326  0.000  1.0
  Sb  Sb13  1  0.178  0.178  0.504  1.0
  Sb  Sb14  1  0.674  0.674  0.496  1.0
[/CIF]
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