The structure described by Sr3GeO5 crystallizes in the tetragonal P4/ncc space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(1) and eight equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Ge(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and four equivalent Sr(2) atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles range from 0-31°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), three equivalent Sr(2), and one Ge(1) atom. is represented by the CIF file [CIF]
data_Sr3GeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.963
_cell_length_b   7.510
_cell_length_c   6.963
_cell_angle_alpha   117.617
_cell_angle_beta   90.000
_cell_angle_gamma   117.617
_symmetry_Int_Tables_number   1
_cell_volume   274.909
_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
  Ge  Ge0  1  0.000  0.000  0.000  1.0
  Ge  Ge1  1  0.500  0.000  0.500  1.0
  O  O2  1  0.250  0.500  0.750  1.0
  O  O3  1  0.750  0.500  0.250  1.0
  O  O4  1  0.043  0.805  0.762  1.0
  O  O5  1  0.543  0.805  0.543  1.0
  O  O6  1  0.738  0.195  0.457  1.0
  O  O7  1  0.238  0.195  0.238  1.0
  O  O8  1  0.762  0.805  0.043  1.0
  O  O9  1  0.262  0.805  0.262  1.0
  O  O10  1  0.457  0.195  0.738  1.0
  O  O11  1  0.957  0.195  0.957  1.0
  Sr  Sr12  1  1.000  0.000  0.500  1.0
  Sr  Sr13  1  0.500  0.000  1.000  1.0
  Sr  Sr14  1  0.432  0.500  0.068  1.0
  Sr  Sr15  1  0.932  0.500  0.932  1.0
  Sr  Sr16  1  0.068  0.500  0.432  1.0
  Sr  Sr17  1  0.568  0.500  0.568  1.0
[/CIF]
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The structure described by Sr3GeO5 crystallizes in the tetragonal P4/ncc space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 10-coordinate geometry to two equivalent O(1) and eight equivalent O(2) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(1) and six equivalent O(2) atoms. Ge(1) is bonded in a tetrahedral geometry to four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and four equivalent Sr(2) atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles range from 0-31°. In the second O site, O(2) is bonded in a 6-coordinate geometry to two equivalent Sr(1), three equivalent Sr(2), and one Ge(1) atom. is represented by the CIF file [CIF]
data_Sr3GeO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.963
_cell_length_b   7.510
_cell_length_c   6.963
_cell_angle_alpha   117.617
_cell_angle_beta   90.000
_cell_angle_gamma   117.617
_symmetry_Int_Tables_number   1
_cell_volume   274.909
_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
  Ge  Ge0  1  0.000  0.000  0.000  1.0
  Ge  Ge1  1  0.500  0.000  0.500  1.0
  O  O2  1  0.250  0.500  0.750  1.0
  O  O3  1  0.750  0.500  0.250  1.0
  O  O4  1  0.043  0.805  0.762  1.0
  O  O5  1  0.543  0.805  0.543  1.0
  O  O6  1  0.738  0.195  0.457  1.0
  O  O7  1  0.238  0.195  0.238  1.0
  O  O8  1  0.762  0.805  0.043  1.0
  O  O9  1  0.262  0.805  0.262  1.0
  O  O10  1  0.457  0.195  0.738  1.0
  O  O11  1  0.957  0.195  0.957  1.0
  Sr  Sr12  1  1.000  0.000  0.500  1.0
  Sr  Sr13  1  0.500  0.000  1.000  1.0
  Sr  Sr14  1  0.432  0.500  0.068  1.0
  Sr  Sr15  1  0.932  0.500  0.932  1.0
  Sr  Sr16  1  0.068  0.500  0.432  1.0
  Sr  Sr17  1  0.568  0.500  0.568  1.0
[/CIF]
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