The material described by Sr4U3ZnO12 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. There are three inequivalent U sites. In the first U site, U(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles range from 32-34°. In the second U site, U(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form UO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with four equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-34°. In the third U site, U(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form UO6 octahedra that share corners with two equivalent U(1)O6 octahedra and corners with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-32°. Zn(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form ZnO6 octahedra that share corners with two equivalent U(2)O6 octahedra and corners with four equivalent U(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-30°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one U(3), and one Zn(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one U(1), and one U(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one U(1), and one U(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one U(3), and one Zn(1) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), one U(2), and one Zn(1) atom to form distorted OSr2UZn tetrahedra that share corners with two equivalent O(6)Sr2U2 tetrahedra and corners with two equivalent O(5)Sr2UZn tetrahedra. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one U(1), and one U(3) atom to form distorted OSr2U2 tetrahedra that share corners with two equivalent O(6)Sr2U2 tetrahedra and corners with two equivalent O(5)Sr2UZn tetrahedra. is represented by the CIF file [CIF]
data_Sr4U3ZnO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.920
_cell_length_b   6.039
_cell_length_c   8.550
_cell_angle_alpha   90.352
_cell_angle_beta   90.705
_cell_angle_gamma   90.029
_symmetry_Int_Tables_number   1
_cell_volume   305.640
_cell_formula_units_Z   1
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  0.487  0.465  0.230  1.0
  Sr  Sr1  1  0.013  0.947  0.227  1.0
  Sr  Sr2  1  0.513  0.535  0.770  1.0
  Sr  Sr3  1  0.987  0.053  0.773  1.0
  U  U4  1  0.500  0.000  0.500  1.0
  U  U5  1  0.000  0.500  0.500  1.0
  U  U6  1  0.500  0.000  0.000  1.0
  Zn  Zn7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.285  0.719  0.042  1.0
  O  O9  1  0.209  0.202  0.437  1.0
  O  O10  1  0.702  0.293  0.561  1.0
  O  O11  1  0.781  0.786  0.963  1.0
  O  O12  1  0.715  0.281  0.958  1.0
  O  O13  1  0.791  0.798  0.563  1.0
  O  O14  1  0.298  0.707  0.439  1.0
  O  O15  1  0.219  0.214  0.037  1.0
  O  O16  1  0.908  0.531  0.264  1.0
  O  O17  1  0.599  0.034  0.252  1.0
  O  O18  1  0.092  0.469  0.736  1.0
  O  O19  1  0.401  0.966  0.748  1.0
[/CIF]
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The material described by Sr4U3ZnO12 crystallizes in the triclinic P-1 space group. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. In the second Sr site, Sr(2) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms. There are three inequivalent U sites. In the first U site, U(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(6) atoms to form corner-sharing UO6 octahedra. The corner-sharing octahedral tilt angles range from 32-34°. In the second U site, U(2) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form UO6 octahedra that share corners with two equivalent Zn(1)O6 octahedra and corners with four equivalent U(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-34°. In the third U site, U(3) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms to form UO6 octahedra that share corners with two equivalent U(1)O6 octahedra and corners with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-32°. Zn(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form ZnO6 octahedra that share corners with two equivalent U(2)O6 octahedra and corners with four equivalent U(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 23-30°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(2), two equivalent Sr(1), one U(3), and one Zn(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one U(1), and one U(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sr(1), one Sr(2), one U(1), and one U(2) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Sr(1), two equivalent Sr(2), one U(3), and one Zn(1) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), one U(2), and one Zn(1) atom to form distorted OSr2UZn tetrahedra that share corners with two equivalent O(6)Sr2U2 tetrahedra and corners with two equivalent O(5)Sr2UZn tetrahedra. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(2), one U(1), and one U(3) atom to form distorted OSr2U2 tetrahedra that share corners with two equivalent O(6)Sr2U2 tetrahedra and corners with two equivalent O(5)Sr2UZn tetrahedra. is represented by the CIF file [CIF]
data_Sr4U3ZnO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.920
_cell_length_b   6.039
_cell_length_c   8.550
_cell_angle_alpha   90.352
_cell_angle_beta   90.705
_cell_angle_gamma   90.029
_symmetry_Int_Tables_number   1
_cell_volume   305.640
_cell_formula_units_Z   1
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  0.487  0.465  0.230  1.0
  Sr  Sr1  1  0.013  0.947  0.227  1.0
  Sr  Sr2  1  0.513  0.535  0.770  1.0
  Sr  Sr3  1  0.987  0.053  0.773  1.0
  U  U4  1  0.500  0.000  0.500  1.0
  U  U5  1  0.000  0.500  0.500  1.0
  U  U6  1  0.500  0.000  0.000  1.0
  Zn  Zn7  1  0.000  0.500  0.000  1.0
  O  O8  1  0.285  0.719  0.042  1.0
  O  O9  1  0.209  0.202  0.437  1.0
  O  O10  1  0.702  0.293  0.561  1.0
  O  O11  1  0.781  0.786  0.963  1.0
  O  O12  1  0.715  0.281  0.958  1.0
  O  O13  1  0.791  0.798  0.563  1.0
  O  O14  1  0.298  0.707  0.439  1.0
  O  O15  1  0.219  0.214  0.037  1.0
  O  O16  1  0.908  0.531  0.264  1.0
  O  O17  1  0.599  0.034  0.252  1.0
  O  O18  1  0.092  0.469  0.736  1.0
  O  O19  1  0.401  0.966  0.748  1.0
[/CIF]
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