The material described by Sr3GeO is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to three equivalent Ge(1) and two equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 2-coordinate geometry to two equivalent Ge(1) and two equivalent O(1) atoms. Ge(1) is bonded in a 8-coordinate geometry to two equivalent Sr(2) and six equivalent Sr(1) atoms. O(1) is bonded to two equivalent Sr(2) and four equivalent Sr(1) atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles range from 19-20°. is represented by the CIF file [CIF]
data_Sr3GeO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.166
_cell_length_b   7.139
_cell_length_c   10.126
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   518.000
_cell_formula_units_Z   4
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  0.219  0.781  0.031  1.0
  Sr  Sr1  1  0.719  0.719  0.469  1.0
  Sr  Sr2  1  0.281  0.281  0.969  1.0
  Sr  Sr3  1  0.781  0.219  0.531  1.0
  Sr  Sr4  1  0.219  0.781  0.469  1.0
  Sr  Sr5  1  0.719  0.719  0.031  1.0
  Sr  Sr6  1  0.281  0.281  0.531  1.0
  Sr  Sr7  1  0.781  0.219  0.969  1.0
  Sr  Sr8  1  0.510  0.059  0.250  1.0
  Sr  Sr9  1  0.010  0.441  0.250  1.0
  Sr  Sr10  1  0.990  0.559  0.750  1.0
  Sr  Sr11  1  0.490  0.941  0.750  1.0
  Ge  Ge12  1  0.975  0.995  0.250  1.0
  Ge  Ge13  1  0.475  0.505  0.250  1.0
  Ge  Ge14  1  0.525  0.495  0.750  1.0
  Ge  Ge15  1  0.025  0.005  0.750  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.500  0.000  0.000  1.0
  O  O18  1  0.500  0.000  0.500  1.0
  O  O19  1  0.000  0.500  0.000  1.0
[/CIF]
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The material described by Sr3GeO is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to three equivalent Ge(1) and two equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 2-coordinate geometry to two equivalent Ge(1) and two equivalent O(1) atoms. Ge(1) is bonded in a 8-coordinate geometry to two equivalent Sr(2) and six equivalent Sr(1) atoms. O(1) is bonded to two equivalent Sr(2) and four equivalent Sr(1) atoms to form corner-sharing OSr6 octahedra. The corner-sharing octahedral tilt angles range from 19-20°. is represented by the CIF file [CIF]
data_Sr3GeO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.166
_cell_length_b   7.139
_cell_length_c   10.126
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   518.000
_cell_formula_units_Z   4
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  0.219  0.781  0.031  1.0
  Sr  Sr1  1  0.719  0.719  0.469  1.0
  Sr  Sr2  1  0.281  0.281  0.969  1.0
  Sr  Sr3  1  0.781  0.219  0.531  1.0
  Sr  Sr4  1  0.219  0.781  0.469  1.0
  Sr  Sr5  1  0.719  0.719  0.031  1.0
  Sr  Sr6  1  0.281  0.281  0.531  1.0
  Sr  Sr7  1  0.781  0.219  0.969  1.0
  Sr  Sr8  1  0.510  0.059  0.250  1.0
  Sr  Sr9  1  0.010  0.441  0.250  1.0
  Sr  Sr10  1  0.990  0.559  0.750  1.0
  Sr  Sr11  1  0.490  0.941  0.750  1.0
  Ge  Ge12  1  0.975  0.995  0.250  1.0
  Ge  Ge13  1  0.475  0.505  0.250  1.0
  Ge  Ge14  1  0.525  0.495  0.750  1.0
  Ge  Ge15  1  0.025  0.005  0.750  1.0
  O  O16  1  0.000  0.500  0.500  1.0
  O  O17  1  0.500  0.000  0.000  1.0
  O  O18  1  0.500  0.000  0.500  1.0
  O  O19  1  0.000  0.500  0.000  1.0
[/CIF]
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