The material structure described by La2SiSeO4 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to two equivalent Se(1), two equivalent O(2), and four equivalent O(1) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to two equivalent Se(1), two equivalent O(1), and four equivalent O(2) atoms. Si(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. Se(1) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent La(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one La(2), two equivalent La(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one La(1), two equivalent La(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2SiSeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.299
_cell_length_b   7.333
_cell_length_c   11.212
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   517.920
_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
  La  La0  1  0.393  0.750  0.500  1.0
  La  La1  1  0.393  0.750  0.000  1.0
  La  La2  1  0.607  0.250  0.500  1.0
  La  La3  1  0.607  0.250  0.000  1.0
  La  La4  1  0.875  0.963  0.750  1.0
  La  La5  1  0.875  0.537  0.250  1.0
  La  La6  1  0.125  0.463  0.750  1.0
  La  La7  1  0.125  0.037  0.250  1.0
  Si  Si8  1  0.112  0.250  0.000  1.0
  Si  Si9  1  0.888  0.750  0.000  1.0
  Si  Si10  1  0.888  0.750  0.500  1.0
  Si  Si11  1  0.112  0.250  0.500  1.0
  Se  Se12  1  0.580  0.603  0.750  1.0
  Se  Se13  1  0.580  0.897  0.250  1.0
  Se  Se14  1  0.420  0.103  0.750  1.0
  Se  Se15  1  0.420  0.397  0.250  1.0
  O  O16  1  0.266  0.078  0.468  1.0
  O  O17  1  0.266  0.422  0.532  1.0
  O  O18  1  0.734  0.578  0.032  1.0
  O  O19  1  0.734  0.922  0.968  1.0
  O  O20  1  0.734  0.922  0.532  1.0
  O  O21  1  0.734  0.578  0.468  1.0
  O  O22  1  0.266  0.422  0.968  1.0
  O  O23  1  0.266  0.078  0.032  1.0
  O  O24  1  0.047  0.768  0.384  1.0
  O  O25  1  0.047  0.768  0.116  1.0
  O  O26  1  0.953  0.268  0.116  1.0
  O  O27  1  0.953  0.232  0.884  1.0
  O  O28  1  0.953  0.232  0.616  1.0
  O  O29  1  0.953  0.268  0.384  1.0
  O  O30  1  0.047  0.732  0.884  1.0
  O  O31  1  0.047  0.732  0.616  1.0
[/CIF]
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The material structure described by La2SiSeO4 crystallizes in the orthorhombic Pbcm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 6-coordinate geometry to two equivalent Se(1), two equivalent O(2), and four equivalent O(1) atoms. In the second La site, La(2) is bonded in a 6-coordinate geometry to two equivalent Se(1), two equivalent O(1), and four equivalent O(2) atoms. Si(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. Se(1) is bonded in a 4-coordinate geometry to two equivalent La(1) and two equivalent La(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one La(2), two equivalent La(1), and one Si(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one La(1), two equivalent La(2), and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_La2SiSeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.299
_cell_length_b   7.333
_cell_length_c   11.212
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   517.920
_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
  La  La0  1  0.393  0.750  0.500  1.0
  La  La1  1  0.393  0.750  0.000  1.0
  La  La2  1  0.607  0.250  0.500  1.0
  La  La3  1  0.607  0.250  0.000  1.0
  La  La4  1  0.875  0.963  0.750  1.0
  La  La5  1  0.875  0.537  0.250  1.0
  La  La6  1  0.125  0.463  0.750  1.0
  La  La7  1  0.125  0.037  0.250  1.0
  Si  Si8  1  0.112  0.250  0.000  1.0
  Si  Si9  1  0.888  0.750  0.000  1.0
  Si  Si10  1  0.888  0.750  0.500  1.0
  Si  Si11  1  0.112  0.250  0.500  1.0
  Se  Se12  1  0.580  0.603  0.750  1.0
  Se  Se13  1  0.580  0.897  0.250  1.0
  Se  Se14  1  0.420  0.103  0.750  1.0
  Se  Se15  1  0.420  0.397  0.250  1.0
  O  O16  1  0.266  0.078  0.468  1.0
  O  O17  1  0.266  0.422  0.532  1.0
  O  O18  1  0.734  0.578  0.032  1.0
  O  O19  1  0.734  0.922  0.968  1.0
  O  O20  1  0.734  0.922  0.532  1.0
  O  O21  1  0.734  0.578  0.468  1.0
  O  O22  1  0.266  0.422  0.968  1.0
  O  O23  1  0.266  0.078  0.032  1.0
  O  O24  1  0.047  0.768  0.384  1.0
  O  O25  1  0.047  0.768  0.116  1.0
  O  O26  1  0.953  0.268  0.116  1.0
  O  O27  1  0.953  0.232  0.884  1.0
  O  O28  1  0.953  0.232  0.616  1.0
  O  O29  1  0.953  0.268  0.384  1.0
  O  O30  1  0.047  0.732  0.884  1.0
  O  O31  1  0.047  0.732  0.616  1.0
[/CIF]
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