The crystal structure described by Li2SmCe(MoO4)4 crystallizes in the tetragonal P-4 space group. Li(1) is bonded in a distorted tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. Sm(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(4) atoms. Ce(1) is bonded in a distorted body-centered cubic 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 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Mo site, Mo(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(4) atoms. In the third Mo site, Mo(3) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Sm(1), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ce(1), one Mo(1), and one Mo(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Ce(1), one Mo(1), and one Mo(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Sm(1), one Mo(1), and one Mo(2) atom. is represented by the CIF card [CIF]
data_Li2CeSm(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.227
_cell_length_b   5.227
_cell_length_c   9.691
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.730
_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  0.500  0.750  0.125  1.0
  Li  Li1  1  0.000  0.250  0.625  1.0
  Ce  Ce2  1  0.500  0.250  0.875  1.0
  Sm  Sm3  1  0.000  0.750  0.375  1.0
  Mo  Mo4  1  0.000  0.250  0.126  1.0
  Mo  Mo5  1  0.500  0.750  0.624  1.0
  Mo  Mo6  1  0.500  0.250  0.375  1.0
  Mo  Mo7  1  0.000  0.750  0.875  1.0
  O  O8  1  0.805  0.428  0.274  1.0
  O  O9  1  0.310  0.943  0.770  1.0
  O  O10  1  0.195  0.072  0.274  1.0
  O  O11  1  0.690  0.557  0.770  1.0
  O  O12  1  0.217  0.940  0.028  1.0
  O  O13  1  0.722  0.440  0.525  1.0
  O  O14  1  0.783  0.560  0.028  1.0
  O  O15  1  0.278  0.060  0.525  1.0
  O  O16  1  0.690  0.028  0.225  1.0
  O  O17  1  0.190  0.533  0.722  1.0
  O  O18  1  0.310  0.472  0.225  1.0
  O  O19  1  0.810  0.967  0.722  1.0
  O  O20  1  0.322  0.555  0.476  1.0
  O  O21  1  0.807  0.060  0.980  1.0
  O  O22  1  0.678  0.945  0.476  1.0
  O  O23  1  0.193  0.440  0.980  1.0
[/CIF]
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The crystal structure described by Li2SmCe(MoO4)4 crystallizes in the tetragonal P-4 space group. Li(1) is bonded in a distorted tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. Sm(1) is bonded in a distorted body-centered cubic geometry to four equivalent O(1) and four equivalent O(4) atoms. Ce(1) is bonded in a distorted body-centered cubic 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 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. In the second Mo site, Mo(2) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(4) atoms. In the third Mo site, Mo(3) is bonded in a distorted body-centered cubic geometry to four equivalent O(2) and four equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Sm(1), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Ce(1), one Mo(1), and one Mo(3) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Ce(1), one Mo(1), and one Mo(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), one Sm(1), one Mo(1), and one Mo(2) atom. is represented by the CIF card [CIF]
data_Li2CeSm(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.227
_cell_length_b   5.227
_cell_length_c   9.691
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.730
_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  0.500  0.750  0.125  1.0
  Li  Li1  1  0.000  0.250  0.625  1.0
  Ce  Ce2  1  0.500  0.250  0.875  1.0
  Sm  Sm3  1  0.000  0.750  0.375  1.0
  Mo  Mo4  1  0.000  0.250  0.126  1.0
  Mo  Mo5  1  0.500  0.750  0.624  1.0
  Mo  Mo6  1  0.500  0.250  0.375  1.0
  Mo  Mo7  1  0.000  0.750  0.875  1.0
  O  O8  1  0.805  0.428  0.274  1.0
  O  O9  1  0.310  0.943  0.770  1.0
  O  O10  1  0.195  0.072  0.274  1.0
  O  O11  1  0.690  0.557  0.770  1.0
  O  O12  1  0.217  0.940  0.028  1.0
  O  O13  1  0.722  0.440  0.525  1.0
  O  O14  1  0.783  0.560  0.028  1.0
  O  O15  1  0.278  0.060  0.525  1.0
  O  O16  1  0.690  0.028  0.225  1.0
  O  O17  1  0.190  0.533  0.722  1.0
  O  O18  1  0.310  0.472  0.225  1.0
  O  O19  1  0.810  0.967  0.722  1.0
  O  O20  1  0.322  0.555  0.476  1.0
  O  O21  1  0.807  0.060  0.980  1.0
  O  O22  1  0.678  0.945  0.476  1.0
  O  O23  1  0.193  0.440  0.980  1.0
[/CIF]
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