The material described by Sr3UO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SrO6 octahedra that share corners with six equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-41°. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-41°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one U(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), three equivalent Sr(2), and one U(1) atom. In the third O site, O(3) is bonded to one Sr(1), two equivalent Sr(2), and one U(1) atom to form distorted corner-sharing OSr3U tetrahedra. is represented by the CIF card [CIF]
data_Sr3UO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.012
_cell_length_b   6.245
_cell_length_c   8.625
_cell_angle_alpha   90.000
_cell_angle_beta   90.473
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.820
_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  0.250  0.018  0.750  1.0
  Sr  Sr1  1  0.750  0.518  0.250  1.0
  Sr  Sr2  1  0.235  0.568  0.507  1.0
  Sr  Sr3  1  0.765  0.068  0.493  1.0
  Sr  Sr4  1  0.735  0.968  0.007  1.0
  Sr  Sr5  1  0.265  0.468  0.993  1.0
  U  U6  1  0.250  0.018  0.250  1.0
  U  U7  1  0.750  0.518  0.750  1.0
  O  O8  1  0.424  0.746  0.173  1.0
  O  O9  1  0.576  0.246  0.827  1.0
  O  O10  1  0.968  0.842  0.300  1.0
  O  O11  1  0.032  0.342  0.700  1.0
  O  O12  1  0.868  0.580  0.975  1.0
  O  O13  1  0.132  0.080  0.025  1.0
  O  O14  1  0.924  0.791  0.673  1.0
  O  O15  1  0.076  0.291  0.327  1.0
  O  O16  1  0.632  0.456  0.525  1.0
  O  O17  1  0.368  0.956  0.475  1.0
  O  O18  1  0.532  0.195  0.200  1.0
  O  O19  1  0.468  0.695  0.800  1.0
[/CIF]
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The material described by Sr3UO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form SrO6 octahedra that share corners with six equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-41°. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to two equivalent O(1), two equivalent O(3), and three equivalent O(2) atoms. U(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form UO6 octahedra that share corners with six equivalent Sr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-41°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sr(1), two equivalent Sr(2), and one U(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sr(1), three equivalent Sr(2), and one U(1) atom. In the third O site, O(3) is bonded to one Sr(1), two equivalent Sr(2), and one U(1) atom to form distorted corner-sharing OSr3U tetrahedra. is represented by the CIF card [CIF]
data_Sr3UO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.012
_cell_length_b   6.245
_cell_length_c   8.625
_cell_angle_alpha   90.000
_cell_angle_beta   90.473
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   323.820
_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  0.250  0.018  0.750  1.0
  Sr  Sr1  1  0.750  0.518  0.250  1.0
  Sr  Sr2  1  0.235  0.568  0.507  1.0
  Sr  Sr3  1  0.765  0.068  0.493  1.0
  Sr  Sr4  1  0.735  0.968  0.007  1.0
  Sr  Sr5  1  0.265  0.468  0.993  1.0
  U  U6  1  0.250  0.018  0.250  1.0
  U  U7  1  0.750  0.518  0.750  1.0
  O  O8  1  0.424  0.746  0.173  1.0
  O  O9  1  0.576  0.246  0.827  1.0
  O  O10  1  0.968  0.842  0.300  1.0
  O  O11  1  0.032  0.342  0.700  1.0
  O  O12  1  0.868  0.580  0.975  1.0
  O  O13  1  0.132  0.080  0.025  1.0
  O  O14  1  0.924  0.791  0.673  1.0
  O  O15  1  0.076  0.291  0.327  1.0
  O  O16  1  0.632  0.456  0.525  1.0
  O  O17  1  0.368  0.956  0.475  1.0
  O  O18  1  0.532  0.195  0.200  1.0
  O  O19  1  0.468  0.695  0.800  1.0
[/CIF]
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