The crystal structure described by Li2SmCe(MoO4)4 is Zircon-derived structured and crystallizes in the tetragonal P-4 space group. Li(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Sm(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(4) atoms. Ce(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to four equivalent O(4) atoms. In the third Mo site, Mo(3) is bonded in a tetrahedral geometry to four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sm(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Ce(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Ce(1), and one Mo(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Sm(1), and one Mo(2) atom. is represented by the CIF file [CIF]
data_Li2CeSm(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.308
_cell_length_b   5.308
_cell_length_c   11.425
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   321.876
_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
  Li  Li0  1  0.000  0.500  0.750  1.0
  Li  Li1  1  0.500  0.000  0.250  1.0
  Ce  Ce2  1  0.000  0.000  0.500  1.0
  Sm  Sm3  1  0.500  0.500  0.000  1.0
  Mo  Mo4  1  0.500  0.000  0.754  1.0
  Mo  Mo5  1  0.000  0.500  0.246  1.0
  Mo  Mo6  1  0.000  0.000  0.000  1.0
  Mo  Mo7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.352  0.248  0.839  1.0
  O  O9  1  0.857  0.741  0.335  1.0
  O  O10  1  0.648  0.752  0.839  1.0
  O  O11  1  0.143  0.259  0.335  1.0
  O  O12  1  0.749  0.646  0.584  1.0
  O  O13  1  0.243  0.155  0.084  1.0
  O  O14  1  0.251  0.354  0.584  1.0
  O  O15  1  0.757  0.845  0.084  1.0
  O  O16  1  0.155  0.757  0.916  1.0
  O  O17  1  0.646  0.251  0.416  1.0
  O  O18  1  0.845  0.243  0.916  1.0
  O  O19  1  0.354  0.749  0.416  1.0
  O  O20  1  0.752  0.352  0.161  1.0
  O  O21  1  0.259  0.857  0.665  1.0
  O  O22  1  0.248  0.648  0.161  1.0
  O  O23  1  0.741  0.143  0.665  1.0
[/CIF]
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The crystal structure described by Li2SmCe(MoO4)4 is Zircon-derived structured and crystallizes in the tetragonal P-4 space group. Li(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Sm(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(4) atoms. Ce(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent O(3) atoms. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Mo site, Mo(2) is bonded in a tetrahedral geometry to four equivalent O(4) atoms. In the third Mo site, Mo(3) is bonded in a tetrahedral geometry to four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Li(1), one Sm(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Ce(1), and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Ce(1), and one Mo(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Sm(1), and one Mo(2) atom. is represented by the CIF file [CIF]
data_Li2CeSm(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.308
_cell_length_b   5.308
_cell_length_c   11.425
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   321.876
_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
  Li  Li0  1  0.000  0.500  0.750  1.0
  Li  Li1  1  0.500  0.000  0.250  1.0
  Ce  Ce2  1  0.000  0.000  0.500  1.0
  Sm  Sm3  1  0.500  0.500  0.000  1.0
  Mo  Mo4  1  0.500  0.000  0.754  1.0
  Mo  Mo5  1  0.000  0.500  0.246  1.0
  Mo  Mo6  1  0.000  0.000  0.000  1.0
  Mo  Mo7  1  0.500  0.500  0.500  1.0
  O  O8  1  0.352  0.248  0.839  1.0
  O  O9  1  0.857  0.741  0.335  1.0
  O  O10  1  0.648  0.752  0.839  1.0
  O  O11  1  0.143  0.259  0.335  1.0
  O  O12  1  0.749  0.646  0.584  1.0
  O  O13  1  0.243  0.155  0.084  1.0
  O  O14  1  0.251  0.354  0.584  1.0
  O  O15  1  0.757  0.845  0.084  1.0
  O  O16  1  0.155  0.757  0.916  1.0
  O  O17  1  0.646  0.251  0.416  1.0
  O  O18  1  0.845  0.243  0.916  1.0
  O  O19  1  0.354  0.749  0.416  1.0
  O  O20  1  0.752  0.352  0.161  1.0
  O  O21  1  0.259  0.857  0.665  1.0
  O  O22  1  0.248  0.648  0.161  1.0
  O  O23  1  0.741  0.143  0.665  1.0
[/CIF]
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