The crystal structure described by BaU(SiO4)2 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(3), two equivalent O(4), and eight equivalent O(1) atoms. U(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form distorted UO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Ba(1), one U(1), and one Si(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one U(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to two equivalent Ba(1) and one U(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Ba(1) and two equivalent Si(1) atoms. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_BaU(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.707
_cell_length_b   8.707
_cell_length_c   7.643
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   141.863
_symmetry_Int_Tables_number   1
_cell_volume   357.844
_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
  Ba  Ba0  1  0.210  0.790  0.750  1.0
  Ba  Ba1  1  0.790  0.210  0.250  1.0
  U  U2  1  0.879  0.121  0.750  1.0
  U  U3  1  0.121  0.879  0.250  1.0
  Si  Si4  1  0.405  0.595  0.041  1.0
  Si  Si5  1  0.595  0.405  0.959  1.0
  Si  Si6  1  0.405  0.595  0.459  1.0
  Si  Si7  1  0.595  0.405  0.541  1.0
  O  O8  1  0.591  0.871  0.538  1.0
  O  O9  1  0.011  0.989  0.250  1.0
  O  O10  1  0.409  0.129  0.038  1.0
  O  O11  1  0.989  0.011  0.750  1.0
  O  O12  1  0.129  0.409  0.962  1.0
  O  O13  1  0.591  0.871  0.962  1.0
  O  O14  1  0.871  0.591  0.038  1.0
  O  O15  1  0.129  0.409  0.538  1.0
  O  O16  1  0.871  0.591  0.462  1.0
  O  O17  1  0.766  0.234  0.750  1.0
  O  O18  1  0.607  0.393  0.750  1.0
  O  O19  1  0.500  0.500  0.500  1.0
  O  O20  1  0.409  0.129  0.462  1.0
  O  O21  1  0.234  0.766  0.250  1.0
  O  O22  1  0.500  0.500  0.000  1.0
  O  O23  1  0.393  0.607  0.250  1.0
[/CIF]
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The crystal structure described by BaU(SiO4)2 crystallizes in the orthorhombic Cmcm space group. Ba(1) is bonded in a 12-coordinate geometry to two equivalent O(3), two equivalent O(4), and eight equivalent O(1) atoms. U(1) is bonded to one O(2), one O(3), and four equivalent O(1) atoms to form distorted UO6 octahedra that share corners with four equivalent Si(1)O4 tetrahedra. Si(1) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form SiO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 41°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 1-coordinate geometry to two equivalent Ba(1), one U(1), and one Si(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one U(1) atom. In the third O site, O(3) is bonded in a single-bond geometry to two equivalent Ba(1) and one U(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to two equivalent Ba(1) and two equivalent Si(1) atoms. In the fifth O site, O(5) is bonded in a linear geometry to two equivalent Si(1) atoms. is represented by the CIF file [CIF]
data_BaU(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.707
_cell_length_b   8.707
_cell_length_c   7.643
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   141.863
_symmetry_Int_Tables_number   1
_cell_volume   357.844
_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
  Ba  Ba0  1  0.210  0.790  0.750  1.0
  Ba  Ba1  1  0.790  0.210  0.250  1.0
  U  U2  1  0.879  0.121  0.750  1.0
  U  U3  1  0.121  0.879  0.250  1.0
  Si  Si4  1  0.405  0.595  0.041  1.0
  Si  Si5  1  0.595  0.405  0.959  1.0
  Si  Si6  1  0.405  0.595  0.459  1.0
  Si  Si7  1  0.595  0.405  0.541  1.0
  O  O8  1  0.591  0.871  0.538  1.0
  O  O9  1  0.011  0.989  0.250  1.0
  O  O10  1  0.409  0.129  0.038  1.0
  O  O11  1  0.989  0.011  0.750  1.0
  O  O12  1  0.129  0.409  0.962  1.0
  O  O13  1  0.591  0.871  0.962  1.0
  O  O14  1  0.871  0.591  0.038  1.0
  O  O15  1  0.129  0.409  0.538  1.0
  O  O16  1  0.871  0.591  0.462  1.0
  O  O17  1  0.766  0.234  0.750  1.0
  O  O18  1  0.607  0.393  0.750  1.0
  O  O19  1  0.500  0.500  0.500  1.0
  O  O20  1  0.409  0.129  0.462  1.0
  O  O21  1  0.234  0.766  0.250  1.0
  O  O22  1  0.500  0.500  0.000  1.0
  O  O23  1  0.393  0.607  0.250  1.0
[/CIF]
.