The material described by Ce3Sn7 crystallizes in the monoclinic P2/m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 10-coordinate geometry to two equivalent Sn(2), two equivalent Sn(4), and six equivalent Sn(1) atoms. In the second Ce site, Ce(2) is bonded to four equivalent Sn(2), four equivalent Sn(3), and four equivalent Sn(4) atoms to form a mixture of corner and face-sharing CeSn12 cuboctahedra. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to six equivalent Ce(1) and two equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent Ce(1) and two equivalent Ce(2) atoms. In the third Sn site, Sn(3) is bonded in a distorted square co-planar geometry to four equivalent Ce(2) atoms. In the fourth Sn site, Sn(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ce(1) and two equivalent Ce(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3Sn7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.577
_cell_length_b   4.642
_cell_length_c   13.182
_cell_angle_alpha   90.000
_cell_angle_beta   100.058
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   275.772
_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  0.184  0.000  0.366  1.0
  Ce  Ce1  1  0.816  0.000  0.634  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Sn  Sn3  1  0.288  0.500  0.576  1.0
  Sn  Sn4  1  0.712  0.500  0.424  1.0
  Sn  Sn5  1  0.094  0.500  0.189  1.0
  Sn  Sn6  1  0.500  0.500  0.000  1.0
  Sn  Sn7  1  0.594  0.000  0.187  1.0
  Sn  Sn8  1  0.406  0.000  0.813  1.0
  Sn  Sn9  1  0.906  0.500  0.811  1.0
[/CIF]
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The material described by Ce3Sn7 crystallizes in the monoclinic P2/m space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 10-coordinate geometry to two equivalent Sn(2), two equivalent Sn(4), and six equivalent Sn(1) atoms. In the second Ce site, Ce(2) is bonded to four equivalent Sn(2), four equivalent Sn(3), and four equivalent Sn(4) atoms to form a mixture of corner and face-sharing CeSn12 cuboctahedra. There are four inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 8-coordinate geometry to six equivalent Ce(1) and two equivalent Sn(1) atoms. In the second Sn site, Sn(2) is bonded in a 4-coordinate geometry to two equivalent Ce(1) and two equivalent Ce(2) atoms. In the third Sn site, Sn(3) is bonded in a distorted square co-planar geometry to four equivalent Ce(2) atoms. In the fourth Sn site, Sn(4) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ce(1) and two equivalent Ce(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce3Sn7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.577
_cell_length_b   4.642
_cell_length_c   13.182
_cell_angle_alpha   90.000
_cell_angle_beta   100.058
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   275.772
_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  0.184  0.000  0.366  1.0
  Ce  Ce1  1  0.816  0.000  0.634  1.0
  Ce  Ce2  1  0.000  0.000  0.000  1.0
  Sn  Sn3  1  0.288  0.500  0.576  1.0
  Sn  Sn4  1  0.712  0.500  0.424  1.0
  Sn  Sn5  1  0.094  0.500  0.189  1.0
  Sn  Sn6  1  0.500  0.500  0.000  1.0
  Sn  Sn7  1  0.594  0.000  0.187  1.0
  Sn  Sn8  1  0.406  0.000  0.813  1.0
  Sn  Sn9  1  0.906  0.500  0.811  1.0
[/CIF]
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