The material described by La3YSb3 crystallizes in the monoclinic C2 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(2), two equivalent Sb(3), and two equivalent Sb(4) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(2), two equivalent Sb(3), and two equivalent Sb(4) atoms. In the third La site, La(3) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(2), two equivalent Sb(3), and two equivalent Sb(4) atoms. Y(1) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(2), two equivalent Sb(3), and two equivalent Sb(4) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent La(1), two equivalent La(2), two equivalent La(3), and two equivalent Y(1) atoms to form a mixture of distorted corner, face, and edge-sharing SbLa6Y2 hexagonal bipyramids. In the second Sb site, Sb(2) is bonded to two equivalent La(1), two equivalent La(2), two equivalent La(3), and two equivalent Y(1) atoms to form a mixture of distorted corner, face, and edge-sharing SbLa6Y2 hexagonal bipyramids. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent La(2), two equivalent La(3), and two equivalent Y(1) atoms. In the fourth Sb site, Sb(4) is bonded to two equivalent La(1), two equivalent La(2), two equivalent La(3), and two equivalent Y(1) atoms to form a mixture of distorted corner, face, and edge-sharing SbLa6Y2 hexagonal bipyramids. is represented by the CIF file [CIF]
data_La3YSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.282
_cell_length_b   8.282
_cell_length_c   9.582
_cell_angle_alpha   55.048
_cell_angle_beta   55.048
_cell_angle_gamma   70.809
_symmetry_Int_Tables_number   1
_cell_volume   441.549
_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
  La  La0  1  1.000  0.139  0.108  1.0
  La  La1  1  0.861  0.000  0.892  1.0
  La  La2  1  0.500  0.856  0.751  1.0
  La  La3  1  0.144  0.500  0.249  1.0
  La  La4  1  1.000  0.646  0.604  1.0
  La  La5  1  0.354  0.000  0.396  1.0
  Y  Y6  1  0.639  0.499  0.250  1.0
  Y  Y7  1  0.501  0.361  0.750  1.0
  Sb  Sb8  1  0.865  0.135  0.500  1.0
  Sb  Sb9  1  0.625  0.375  0.000  1.0
  Sb  Sb10  1  0.261  0.257  0.621  1.0
  Sb  Sb11  1  0.743  0.739  0.379  1.0
  Sb  Sb12  1  0.125  0.616  0.878  1.0
  Sb  Sb13  1  0.384  0.875  0.122  1.0
[/CIF]
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The material described by La3YSb3 crystallizes in the monoclinic C2 space group. There are three inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(2), two equivalent Sb(3), and two equivalent Sb(4) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(2), two equivalent Sb(3), and two equivalent Sb(4) atoms. In the third La site, La(3) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(2), two equivalent Sb(3), and two equivalent Sb(4) atoms. Y(1) is bonded in a 6-coordinate geometry to one Sb(1), one Sb(2), two equivalent Sb(3), and two equivalent Sb(4) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded to two equivalent La(1), two equivalent La(2), two equivalent La(3), and two equivalent Y(1) atoms to form a mixture of distorted corner, face, and edge-sharing SbLa6Y2 hexagonal bipyramids. In the second Sb site, Sb(2) is bonded to two equivalent La(1), two equivalent La(2), two equivalent La(3), and two equivalent Y(1) atoms to form a mixture of distorted corner, face, and edge-sharing SbLa6Y2 hexagonal bipyramids. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to two equivalent La(1), two equivalent La(2), two equivalent La(3), and two equivalent Y(1) atoms. In the fourth Sb site, Sb(4) is bonded to two equivalent La(1), two equivalent La(2), two equivalent La(3), and two equivalent Y(1) atoms to form a mixture of distorted corner, face, and edge-sharing SbLa6Y2 hexagonal bipyramids. is represented by the CIF file [CIF]
data_La3YSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.282
_cell_length_b   8.282
_cell_length_c   9.582
_cell_angle_alpha   55.048
_cell_angle_beta   55.048
_cell_angle_gamma   70.809
_symmetry_Int_Tables_number   1
_cell_volume   441.549
_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
  La  La0  1  1.000  0.139  0.108  1.0
  La  La1  1  0.861  0.000  0.892  1.0
  La  La2  1  0.500  0.856  0.751  1.0
  La  La3  1  0.144  0.500  0.249  1.0
  La  La4  1  1.000  0.646  0.604  1.0
  La  La5  1  0.354  0.000  0.396  1.0
  Y  Y6  1  0.639  0.499  0.250  1.0
  Y  Y7  1  0.501  0.361  0.750  1.0
  Sb  Sb8  1  0.865  0.135  0.500  1.0
  Sb  Sb9  1  0.625  0.375  0.000  1.0
  Sb  Sb10  1  0.261  0.257  0.621  1.0
  Sb  Sb11  1  0.743  0.739  0.379  1.0
  Sb  Sb12  1  0.125  0.616  0.878  1.0
  Sb  Sb13  1  0.384  0.875  0.122  1.0
[/CIF]
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