The material described by LiSm4(Mo2O7)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 10-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), one Mo(4), one O(12), one O(13), one O(3), one O(6), one O(8), and one O(9) atom. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted body-centered cubic geometry to one O(1), one O(11), one O(12), one O(13), one O(14), one O(5), one O(7), and one O(8) atom. In the second Sm site, Sm(2) is bonded in a distorted hexagonal bipyramidal geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(9) atom. In the third Sm site, Sm(3) is bonded in a distorted body-centered cubic geometry to one O(10), one O(11), one O(14), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. In the fourth Sm site, Sm(4) is bonded in a distorted body-centered cubic geometry to one O(10), one O(11), one O(13), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 7-coordinate geometry to one Li(1), one O(10), one O(13), one O(14), one O(6), one O(7), and one O(8) atom. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one Li(1), one O(1), one O(12), one O(13), one O(2), one O(3), and one O(7) atom. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one Li(1), one O(1), one O(12), one O(14), one O(4), one O(8), and one O(9) atom. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one Li(1), one O(10), one O(2), one O(3), one O(4), one O(6), and one O(9) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Sm(1), one Sm(2), one Mo(2), and one Mo(3) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the second O site, O(2) is bonded to one Sm(2), one Sm(4), one Mo(2), and one Mo(4) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Sm(2), one Sm(4), one Mo(2), and one Mo(4) atom. In the fourth O site, O(4) is bonded to one Sm(2), one Sm(3), one Mo(3), and one Mo(4) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the fifth O site, O(5) is bonded to one Sm(1), one Sm(2), one Sm(3), and one Sm(4) atom to form OSm4 tetrahedra that share corners with four equivalent O(11)Sm4 tetrahedra,  an edgeedge with one O(1)Sm2Mo2 tetrahedra,  an edgeedge with one O(10)Sm2Mo2 tetrahedra,  an edgeedge with one O(14)Sm2Mo2 tetrahedra,  an edgeedge with one O(2)Sm2Mo2 tetrahedra,  an edgeedge with one O(4)Sm2Mo2 tetrahedra, and  an edgeedge with one O(7)Sm2Mo2 tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Sm(3), one Sm(4), one Mo(1), and one Mo(4) atom. In the seventh O site, O(7) is bonded to one Sm(1), one Sm(4), one Mo(1), and one Mo(2) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), one Sm(3), one Mo(1), and one Mo(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Sm(2), one Sm(3), one Mo(3), and one Mo(4) atom. In the tenth O site, O(10) is bonded to one Sm(3), one Sm(4), one Mo(1), and one Mo(4) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the eleventh O site, O(11) is bonded to one Sm(1), one Sm(2), one Sm(3), and one Sm(4) atom to form OSm4 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, and corners with four equivalent O(5)Sm4 tetrahedra. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), one Sm(2), one Mo(2), and one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), one Sm(4), one Mo(1), and one Mo(2) atom. In the fourteenth O site, O(14) is bonded to one Sm(1), one Sm(3), one Mo(1), and one Mo(3) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. is represented by the CIF file [CIF]
data_LiSm4(Mo2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.491
_cell_length_b   7.488
_cell_length_c   7.489
_cell_angle_alpha   60.774
_cell_angle_beta   60.775
_cell_angle_gamma   60.784
_symmetry_Int_Tables_number   1
_cell_volume   302.240
_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  0.126  0.127  0.125  1.0
  Sm  Sm1  1  0.497  0.001  0.502  1.0
  Sm  Sm2  1  0.500  0.500  0.499  1.0
  Sm  Sm3  1  0.501  0.498  0.001  1.0
  Sm  Sm4  1  0.001  0.502  0.498  1.0
  Mo  Mo5  1  0.995  0.995  0.995  1.0
  Mo  Mo6  1  0.993  0.998  0.514  1.0
  Mo  Mo7  1  0.514  0.993  0.998  1.0
  Mo  Mo8  1  0.998  0.514  0.993  1.0
  O  O9  1  0.669  0.093  0.662  1.0
  O  O10  1  0.093  0.663  0.670  1.0
  O  O11  1  0.914  0.332  0.322  1.0
  O  O12  1  0.662  0.669  0.092  1.0
  O  O13  1  0.375  0.375  0.375  1.0
  O  O14  1  0.906  0.340  0.924  1.0
  O  O15  1  0.084  0.100  0.652  1.0
  O  O16  1  0.341  0.924  0.905  1.0
  O  O17  1  0.331  0.322  0.915  1.0
  O  O18  1  0.100  0.652  0.085  1.0
  O  O19  1  0.625  0.625  0.625  1.0
  O  O20  1  0.322  0.915  0.332  1.0
  O  O21  1  0.924  0.906  0.341  1.0
  O  O22  1  0.653  0.082  0.100  1.0
[/CIF]
.
The material described by LiSm4(Mo2O7)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 10-coordinate geometry to one Mo(1), one Mo(2), one Mo(3), one Mo(4), one O(12), one O(13), one O(3), one O(6), one O(8), and one O(9) atom. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a distorted body-centered cubic geometry to one O(1), one O(11), one O(12), one O(13), one O(14), one O(5), one O(7), and one O(8) atom. In the second Sm site, Sm(2) is bonded in a distorted hexagonal bipyramidal geometry to one O(1), one O(11), one O(12), one O(2), one O(3), one O(4), one O(5), and one O(9) atom. In the third Sm site, Sm(3) is bonded in a distorted body-centered cubic geometry to one O(10), one O(11), one O(14), one O(4), one O(5), one O(6), one O(8), and one O(9) atom. In the fourth Sm site, Sm(4) is bonded in a distorted body-centered cubic geometry to one O(10), one O(11), one O(13), one O(2), one O(3), one O(5), one O(6), and one O(7) atom. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 7-coordinate geometry to one Li(1), one O(10), one O(13), one O(14), one O(6), one O(7), and one O(8) atom. In the second Mo site, Mo(2) is bonded in a 6-coordinate geometry to one Li(1), one O(1), one O(12), one O(13), one O(2), one O(3), and one O(7) atom. In the third Mo site, Mo(3) is bonded in a 6-coordinate geometry to one Li(1), one O(1), one O(12), one O(14), one O(4), one O(8), and one O(9) atom. In the fourth Mo site, Mo(4) is bonded in a 6-coordinate geometry to one Li(1), one O(10), one O(2), one O(3), one O(4), one O(6), and one O(9) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded to one Sm(1), one Sm(2), one Mo(2), and one Mo(3) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the second O site, O(2) is bonded to one Sm(2), one Sm(4), one Mo(2), and one Mo(4) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Sm(2), one Sm(4), one Mo(2), and one Mo(4) atom. In the fourth O site, O(4) is bonded to one Sm(2), one Sm(3), one Mo(3), and one Mo(4) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the fifth O site, O(5) is bonded to one Sm(1), one Sm(2), one Sm(3), and one Sm(4) atom to form OSm4 tetrahedra that share corners with four equivalent O(11)Sm4 tetrahedra,  an edgeedge with one O(1)Sm2Mo2 tetrahedra,  an edgeedge with one O(10)Sm2Mo2 tetrahedra,  an edgeedge with one O(14)Sm2Mo2 tetrahedra,  an edgeedge with one O(2)Sm2Mo2 tetrahedra,  an edgeedge with one O(4)Sm2Mo2 tetrahedra, and  an edgeedge with one O(7)Sm2Mo2 tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Sm(3), one Sm(4), one Mo(1), and one Mo(4) atom. In the seventh O site, O(7) is bonded to one Sm(1), one Sm(4), one Mo(1), and one Mo(2) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), one Sm(3), one Mo(1), and one Mo(3) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Sm(2), one Sm(3), one Mo(3), and one Mo(4) atom. In the tenth O site, O(10) is bonded to one Sm(3), one Sm(4), one Mo(1), and one Mo(4) atom to form OSm2Mo2 tetrahedra that share corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. In the eleventh O site, O(11) is bonded to one Sm(1), one Sm(2), one Sm(3), and one Sm(4) atom to form OSm4 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(14)Sm2Mo2 tetrahedra, corners with two equivalent O(2)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, and corners with four equivalent O(5)Sm4 tetrahedra. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), one Sm(2), one Mo(2), and one Mo(3) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one Li(1), one Sm(1), one Sm(4), one Mo(1), and one Mo(2) atom. In the fourteenth O site, O(14) is bonded to one Sm(1), one Sm(3), one Mo(1), and one Mo(3) atom to form distorted OSm2Mo2 tetrahedra that share corners with two equivalent O(1)Sm2Mo2 tetrahedra, corners with two equivalent O(10)Sm2Mo2 tetrahedra, corners with two equivalent O(4)Sm2Mo2 tetrahedra, corners with two equivalent O(7)Sm2Mo2 tetrahedra, corners with two equivalent O(11)Sm4 tetrahedra, and  an edgeedge with one O(5)Sm4 tetrahedra. is represented by the CIF file [CIF]
data_LiSm4(Mo2O7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.491
_cell_length_b   7.488
_cell_length_c   7.489
_cell_angle_alpha   60.774
_cell_angle_beta   60.775
_cell_angle_gamma   60.784
_symmetry_Int_Tables_number   1
_cell_volume   302.240
_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  0.126  0.127  0.125  1.0
  Sm  Sm1  1  0.497  0.001  0.502  1.0
  Sm  Sm2  1  0.500  0.500  0.499  1.0
  Sm  Sm3  1  0.501  0.498  0.001  1.0
  Sm  Sm4  1  0.001  0.502  0.498  1.0
  Mo  Mo5  1  0.995  0.995  0.995  1.0
  Mo  Mo6  1  0.993  0.998  0.514  1.0
  Mo  Mo7  1  0.514  0.993  0.998  1.0
  Mo  Mo8  1  0.998  0.514  0.993  1.0
  O  O9  1  0.669  0.093  0.662  1.0
  O  O10  1  0.093  0.663  0.670  1.0
  O  O11  1  0.914  0.332  0.322  1.0
  O  O12  1  0.662  0.669  0.092  1.0
  O  O13  1  0.375  0.375  0.375  1.0
  O  O14  1  0.906  0.340  0.924  1.0
  O  O15  1  0.084  0.100  0.652  1.0
  O  O16  1  0.341  0.924  0.905  1.0
  O  O17  1  0.331  0.322  0.915  1.0
  O  O18  1  0.100  0.652  0.085  1.0
  O  O19  1  0.625  0.625  0.625  1.0
  O  O20  1  0.322  0.915  0.332  1.0
  O  O21  1  0.924  0.906  0.341  1.0
  O  O22  1  0.653  0.082  0.100  1.0
[/CIF]
.