The material described by Sm3Ge5 crystallizes in the monoclinic C2 space group. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 10-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), two equivalent Ge(3), two equivalent Ge(4), and two equivalent Ge(6) atoms. In the second Sm site, Sm(2) is bonded in a 10-coordinate geometry to one Ge(1), one Ge(4), one Ge(5), one Ge(6), three equivalent Ge(2), and three equivalent Ge(3) atoms. In the third Sm site, Sm(3) is bonded in a 10-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), two equivalent Ge(3), two equivalent Ge(4), and two equivalent Ge(5) atoms. In the fourth Sm site, Sm(4) is bonded in a 10-coordinate geometry to one Ge(2), one Ge(3), one Ge(5), one Ge(6), three equivalent Ge(1), and three equivalent Ge(4) atoms. There are six inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to one Sm(1), one Sm(2), one Sm(3), three equivalent Sm(4), one Ge(2), and one Ge(4) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to one Sm(1), one Sm(3), one Sm(4), three equivalent Sm(2), one Ge(1), one Ge(3), and one Ge(6) atom. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Sm(1), one Sm(3), one Sm(4), three equivalent Sm(2), one Ge(2), and one Ge(4) atom. In the fourth Ge site, Ge(4) is bonded in a 9-coordinate geometry to one Sm(1), one Sm(2), one Sm(3), three equivalent Sm(4), one Ge(1), one Ge(3), and one Ge(5) atom. In the fifth Ge site, Ge(5) is bonded in a 8-coordinate geometry to two equivalent Sm(2), two equivalent Sm(3), two equivalent Sm(4), and two equivalent Ge(4) atoms. In the sixth Ge site, Ge(6) is bonded in a 8-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Sm(4), and two equivalent Ge(2) atoms. is represented by the CIF card [CIF]
data_Sm3Ge5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.869
_cell_length_b   7.580
_cell_length_c   9.272
_cell_angle_alpha   83.011
_cell_angle_beta   71.665
_cell_angle_gamma   67.237
_symmetry_Int_Tables_number   1
_cell_volume   361.054
_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
  Sm  Sm0  1  0.250  0.500  0.500  1.0
  Sm  Sm1  1  0.670  0.988  0.664  1.0
  Sm  Sm2  1  1.000  0.000  0.000  1.0
  Sm  Sm3  1  0.584  0.488  0.836  1.0
  Sm  Sm4  1  0.342  0.988  0.336  1.0
  Sm  Sm5  1  0.929  0.488  0.164  1.0
  Ge  Ge6  1  0.377  0.683  0.142  1.0
  Ge  Ge7  1  0.940  0.683  0.858  1.0
  Ge  Ge8  1  0.912  0.827  0.326  1.0
  Ge  Ge9  1  0.047  0.183  0.642  1.0
  Ge  Ge10  1  0.488  0.327  0.174  1.0
  Ge  Ge11  1  0.444  0.112  1.000  1.0
  Ge  Ge12  1  0.262  0.826  0.674  1.0
  Ge  Ge13  1  0.770  0.183  0.358  1.0
  Ge  Ge14  1  0.185  0.327  0.826  1.0
  Ge  Ge15  1  0.694  0.611  0.500  1.0
[/CIF]
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The material described by Sm3Ge5 crystallizes in the monoclinic C2 space group. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 10-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), two equivalent Ge(3), two equivalent Ge(4), and two equivalent Ge(6) atoms. In the second Sm site, Sm(2) is bonded in a 10-coordinate geometry to one Ge(1), one Ge(4), one Ge(5), one Ge(6), three equivalent Ge(2), and three equivalent Ge(3) atoms. In the third Sm site, Sm(3) is bonded in a 10-coordinate geometry to two equivalent Ge(1), two equivalent Ge(2), two equivalent Ge(3), two equivalent Ge(4), and two equivalent Ge(5) atoms. In the fourth Sm site, Sm(4) is bonded in a 10-coordinate geometry to one Ge(2), one Ge(3), one Ge(5), one Ge(6), three equivalent Ge(1), and three equivalent Ge(4) atoms. There are six inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to one Sm(1), one Sm(2), one Sm(3), three equivalent Sm(4), one Ge(2), and one Ge(4) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to one Sm(1), one Sm(3), one Sm(4), three equivalent Sm(2), one Ge(1), one Ge(3), and one Ge(6) atom. In the third Ge site, Ge(3) is bonded in a 8-coordinate geometry to one Sm(1), one Sm(3), one Sm(4), three equivalent Sm(2), one Ge(2), and one Ge(4) atom. In the fourth Ge site, Ge(4) is bonded in a 9-coordinate geometry to one Sm(1), one Sm(2), one Sm(3), three equivalent Sm(4), one Ge(1), one Ge(3), and one Ge(5) atom. In the fifth Ge site, Ge(5) is bonded in a 8-coordinate geometry to two equivalent Sm(2), two equivalent Sm(3), two equivalent Sm(4), and two equivalent Ge(4) atoms. In the sixth Ge site, Ge(6) is bonded in a 8-coordinate geometry to two equivalent Sm(1), two equivalent Sm(2), two equivalent Sm(4), and two equivalent Ge(2) atoms. is represented by the CIF card [CIF]
data_Sm3Ge5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.869
_cell_length_b   7.580
_cell_length_c   9.272
_cell_angle_alpha   83.011
_cell_angle_beta   71.665
_cell_angle_gamma   67.237
_symmetry_Int_Tables_number   1
_cell_volume   361.054
_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
  Sm  Sm0  1  0.250  0.500  0.500  1.0
  Sm  Sm1  1  0.670  0.988  0.664  1.0
  Sm  Sm2  1  1.000  0.000  0.000  1.0
  Sm  Sm3  1  0.584  0.488  0.836  1.0
  Sm  Sm4  1  0.342  0.988  0.336  1.0
  Sm  Sm5  1  0.929  0.488  0.164  1.0
  Ge  Ge6  1  0.377  0.683  0.142  1.0
  Ge  Ge7  1  0.940  0.683  0.858  1.0
  Ge  Ge8  1  0.912  0.827  0.326  1.0
  Ge  Ge9  1  0.047  0.183  0.642  1.0
  Ge  Ge10  1  0.488  0.327  0.174  1.0
  Ge  Ge11  1  0.444  0.112  1.000  1.0
  Ge  Ge12  1  0.262  0.826  0.674  1.0
  Ge  Ge13  1  0.770  0.183  0.358  1.0
  Ge  Ge14  1  0.185  0.327  0.826  1.0
  Ge  Ge15  1  0.694  0.611  0.500  1.0
[/CIF]
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