The material structure described by Sr5Ge3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent Ge(2) and three equivalent Ge(1) atoms to form a mixture of distorted corner, edge, and face-sharing SrGe5 trigonal bipyramids. In the second Sr site, Sr(2) is bonded in a square co-planar geometry to four equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Sr(2), six equivalent Sr(1), and one Ge(1) atom. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to eight equivalent Sr(1) atoms. is represented by the CIF card [CIF]
data_Sr5Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.145
_cell_length_b   8.145
_cell_length_c   9.797
_cell_angle_alpha   114.577
_cell_angle_beta   114.577
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   525.628
_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
  Sr  Sr0  1  0.181  0.039  0.720  1.0
  Sr  Sr1  1  0.039  0.539  0.720  1.0
  Sr  Sr2  1  0.681  0.181  0.721  1.0
  Sr  Sr3  1  0.961  0.461  0.280  1.0
  Sr  Sr4  1  0.539  0.681  0.720  1.0
  Sr  Sr5  1  0.819  0.961  0.280  1.0
  Sr  Sr6  1  0.461  0.319  0.280  1.0
  Sr  Sr7  1  0.319  0.819  0.279  1.0
  Sr  Sr8  1  0.500  0.500  0.000  1.0
  Sr  Sr9  1  0.000  0.000  0.000  1.0
  Ge  Ge10  1  0.613  0.113  0.000  1.0
  Ge  Ge11  1  0.887  0.613  0.000  1.0
  Ge  Ge12  1  0.113  0.387  1.000  1.0
  Ge  Ge13  1  0.387  0.887  1.000  1.0
  Ge  Ge14  1  0.750  0.750  0.500  1.0
  Ge  Ge15  1  0.250  0.250  0.500  1.0
[/CIF]
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The material structure described by Sr5Ge3 crystallizes in the tetragonal I4/mcm space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent Ge(2) and three equivalent Ge(1) atoms to form a mixture of distorted corner, edge, and face-sharing SrGe5 trigonal bipyramids. In the second Sr site, Sr(2) is bonded in a square co-planar geometry to four equivalent Ge(1) atoms. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to two equivalent Sr(2), six equivalent Sr(1), and one Ge(1) atom. In the second Ge site, Ge(2) is bonded in a 8-coordinate geometry to eight equivalent Sr(1) atoms. is represented by the CIF card [CIF]
data_Sr5Ge3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.145
_cell_length_b   8.145
_cell_length_c   9.797
_cell_angle_alpha   114.577
_cell_angle_beta   114.577
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   525.628
_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
  Sr  Sr0  1  0.181  0.039  0.720  1.0
  Sr  Sr1  1  0.039  0.539  0.720  1.0
  Sr  Sr2  1  0.681  0.181  0.721  1.0
  Sr  Sr3  1  0.961  0.461  0.280  1.0
  Sr  Sr4  1  0.539  0.681  0.720  1.0
  Sr  Sr5  1  0.819  0.961  0.280  1.0
  Sr  Sr6  1  0.461  0.319  0.280  1.0
  Sr  Sr7  1  0.319  0.819  0.279  1.0
  Sr  Sr8  1  0.500  0.500  0.000  1.0
  Sr  Sr9  1  0.000  0.000  0.000  1.0
  Ge  Ge10  1  0.613  0.113  0.000  1.0
  Ge  Ge11  1  0.887  0.613  0.000  1.0
  Ge  Ge12  1  0.113  0.387  1.000  1.0
  Ge  Ge13  1  0.387  0.887  1.000  1.0
  Ge  Ge14  1  0.750  0.750  0.500  1.0
  Ge  Ge15  1  0.250  0.250  0.500  1.0
[/CIF]
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