The material structure described by Ce12Sn5Ge3 crystallizes in the tetragonal I4/mcm space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Sn(2) and three equivalent Ge(2) atoms to form a mixture of distorted corner and edge-sharing CeSn2Ge3 trigonal bipyramids. In the second Ce site, Ce(2) is bonded in a 4-coordinate geometry to four equivalent Sn(2) and two equivalent Ge(2) atoms. In the third Ce site, Ce(3) is bonded in a 6-coordinate geometry to one Sn(1), three equivalent Sn(2), one Ge(1), and one Ge(2) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a body-centered cubic geometry to eight equivalent Ce(3) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to one Ce(1), two equivalent Ce(2), six equivalent Ce(3), and one Sn(2) atom. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to eight equivalent Ce(3) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Ce(2), three equivalent Ce(1), and four equivalent Ce(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce12Sn5Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.622
_cell_length_b   11.622
_cell_length_c   11.622
_cell_angle_alpha   92.478
_cell_angle_beta   118.580
_cell_angle_gamma   118.580
_symmetry_Int_Tables_number   1
_cell_volume   1132.710
_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
  Ce  Ce0  1  0.169  0.835  0.335  1.0
  Ce  Ce1  1  0.831  0.165  0.665  1.0
  Ce  Ce2  1  0.500  0.665  0.835  1.0
  Ce  Ce3  1  0.500  0.335  0.165  1.0
  Ce  Ce4  1  0.500  0.857  0.357  1.0
  Ce  Ce5  1  0.500  0.143  0.643  1.0
  Ce  Ce6  1  0.500  0.357  0.857  1.0
  Ce  Ce7  1  0.500  0.643  0.143  1.0
  Ce  Ce8  1  0.737  0.801  0.665  1.0
  Ce  Ce9  1  0.263  0.199  0.335  1.0
  Ce  Ce10  1  0.263  0.928  0.064  1.0
  Ce  Ce11  1  0.136  0.064  0.801  1.0
  Ce  Ce12  1  0.864  0.699  0.436  1.0
  Ce  Ce13  1  0.737  0.072  0.936  1.0
  Ce  Ce14  1  0.864  0.936  0.199  1.0
  Ce  Ce15  1  0.136  0.301  0.564  1.0
  Ce  Ce16  1  0.864  0.665  0.928  1.0
  Ce  Ce17  1  0.136  0.572  0.835  1.0
  Ce  Ce18  1  0.136  0.335  0.072  1.0
  Ce  Ce19  1  0.864  0.428  0.165  1.0
  Ce  Ce20  1  0.737  0.436  0.572  1.0
  Ce  Ce21  1  0.263  0.564  0.428  1.0
  Ce  Ce22  1  0.263  0.835  0.699  1.0
  Ce  Ce23  1  0.737  0.165  0.301  1.0
  Sn  Sn24  1  0.000  0.000  0.000  1.0
  Sn  Sn25  1  0.000  0.500  0.500  1.0
  Sn  Sn26  1  0.151  0.624  0.124  1.0
  Sn  Sn27  1  0.849  0.376  0.876  1.0
  Sn  Sn28  1  0.849  0.973  0.473  1.0
  Sn  Sn29  1  0.500  0.473  0.624  1.0
  Sn  Sn30  1  0.500  0.876  0.027  1.0
  Sn  Sn31  1  0.151  0.027  0.527  1.0
  Sn  Sn32  1  0.500  0.527  0.376  1.0
  Sn  Sn33  1  0.500  0.124  0.973  1.0
  Ge  Ge34  1  0.000  0.750  0.750  1.0
  Ge  Ge35  1  0.000  0.250  0.250  1.0
  Ge  Ge36  1  0.258  0.379  0.879  1.0
  Ge  Ge37  1  0.742  0.621  0.121  1.0
  Ge  Ge38  1  0.500  0.121  0.379  1.0
  Ge  Ge39  1  0.500  0.879  0.621  1.0
[/CIF]
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The material structure described by Ce12Sn5Ge3 crystallizes in the tetragonal I4/mcm space group. There are three inequivalent Ce sites. In the first Ce site, Ce(1) is bonded to two equivalent Sn(2) and three equivalent Ge(2) atoms to form a mixture of distorted corner and edge-sharing CeSn2Ge3 trigonal bipyramids. In the second Ce site, Ce(2) is bonded in a 4-coordinate geometry to four equivalent Sn(2) and two equivalent Ge(2) atoms. In the third Ce site, Ce(3) is bonded in a 6-coordinate geometry to one Sn(1), three equivalent Sn(2), one Ge(1), and one Ge(2) atom. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a body-centered cubic geometry to eight equivalent Ce(3) atoms. In the second Sn site, Sn(2) is bonded in a 10-coordinate geometry to one Ce(1), two equivalent Ce(2), six equivalent Ce(3), and one Sn(2) atom. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to eight equivalent Ce(3) atoms. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to two equivalent Ce(2), three equivalent Ce(1), and four equivalent Ce(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ce12Sn5Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.622
_cell_length_b   11.622
_cell_length_c   11.622
_cell_angle_alpha   92.478
_cell_angle_beta   118.580
_cell_angle_gamma   118.580
_symmetry_Int_Tables_number   1
_cell_volume   1132.710
_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
  Ce  Ce0  1  0.169  0.835  0.335  1.0
  Ce  Ce1  1  0.831  0.165  0.665  1.0
  Ce  Ce2  1  0.500  0.665  0.835  1.0
  Ce  Ce3  1  0.500  0.335  0.165  1.0
  Ce  Ce4  1  0.500  0.857  0.357  1.0
  Ce  Ce5  1  0.500  0.143  0.643  1.0
  Ce  Ce6  1  0.500  0.357  0.857  1.0
  Ce  Ce7  1  0.500  0.643  0.143  1.0
  Ce  Ce8  1  0.737  0.801  0.665  1.0
  Ce  Ce9  1  0.263  0.199  0.335  1.0
  Ce  Ce10  1  0.263  0.928  0.064  1.0
  Ce  Ce11  1  0.136  0.064  0.801  1.0
  Ce  Ce12  1  0.864  0.699  0.436  1.0
  Ce  Ce13  1  0.737  0.072  0.936  1.0
  Ce  Ce14  1  0.864  0.936  0.199  1.0
  Ce  Ce15  1  0.136  0.301  0.564  1.0
  Ce  Ce16  1  0.864  0.665  0.928  1.0
  Ce  Ce17  1  0.136  0.572  0.835  1.0
  Ce  Ce18  1  0.136  0.335  0.072  1.0
  Ce  Ce19  1  0.864  0.428  0.165  1.0
  Ce  Ce20  1  0.737  0.436  0.572  1.0
  Ce  Ce21  1  0.263  0.564  0.428  1.0
  Ce  Ce22  1  0.263  0.835  0.699  1.0
  Ce  Ce23  1  0.737  0.165  0.301  1.0
  Sn  Sn24  1  0.000  0.000  0.000  1.0
  Sn  Sn25  1  0.000  0.500  0.500  1.0
  Sn  Sn26  1  0.151  0.624  0.124  1.0
  Sn  Sn27  1  0.849  0.376  0.876  1.0
  Sn  Sn28  1  0.849  0.973  0.473  1.0
  Sn  Sn29  1  0.500  0.473  0.624  1.0
  Sn  Sn30  1  0.500  0.876  0.027  1.0
  Sn  Sn31  1  0.151  0.027  0.527  1.0
  Sn  Sn32  1  0.500  0.527  0.376  1.0
  Sn  Sn33  1  0.500  0.124  0.973  1.0
  Ge  Ge34  1  0.000  0.750  0.750  1.0
  Ge  Ge35  1  0.000  0.250  0.250  1.0
  Ge  Ge36  1  0.258  0.379  0.879  1.0
  Ge  Ge37  1  0.742  0.621  0.121  1.0
  Ge  Ge38  1  0.500  0.121  0.379  1.0
  Ge  Ge39  1  0.500  0.879  0.621  1.0
[/CIF]
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