The structure described by LiSm4(HO2)4 crystallizes in the monoclinic Pm space group. Li(1) is bonded in a 7-coordinate geometry to one H(2), two equivalent H(3), one O(1), one O(6), and two equivalent O(8) atoms. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to one O(1), one O(7), two equivalent O(3), and two equivalent O(8) atoms. In the second Sm site, Sm(2) is bonded to one O(4), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form distorted edge-sharing SmO6 octahedra. In the third Sm site, Sm(3) is bonded to one O(3), one O(5), two equivalent O(4), and two equivalent O(7) atoms to form distorted edge-sharing SmO6 octahedra. In the fourth Sm site, Sm(4) is bonded in a 6-coordinate geometry to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) and one O(7) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one Li(1) and one O(1) atom. In the third H site, H(3) is bonded in a 1-coordinate geometry to two equivalent Li(1), one O(3), and one O(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) and one O(5) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one Sm(1), two equivalent Sm(4), and one H(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sm(4), two equivalent Sm(2), and one H(4) atom. In the third O site, O(3) is bonded to one Sm(3), two equivalent Sm(1), and one H(3) atom to form distorted corner-sharing OSm3H tetrahedra. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Sm(2), two equivalent Sm(3), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Sm(3), two equivalent Sm(2), and one H(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Sm(2), and two equivalent Sm(4) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sm(1), two equivalent Sm(3), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Li(1), one Sm(4), two equivalent Sm(1), and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSm4(HO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.326
_cell_length_b   11.189
_cell_length_c   3.621
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   86.803
_symmetry_Int_Tables_number   1
_cell_volume   215.482
_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  0.581  0.995  0.250  1.0
  Sm  Sm1  1  0.090  0.843  0.250  1.0
  Sm  Sm2  1  0.397  0.356  0.250  1.0
  Sm  Sm3  1  0.613  0.640  0.750  1.0
  Sm  Sm4  1  0.903  0.155  0.750  1.0
  H  H5  1  0.155  0.597  0.250  1.0
  H  H6  1  0.318  0.113  0.250  1.0
  H  H7  1  0.628  0.891  0.750  1.0
  H  H8  1  0.864  0.395  0.750  1.0
  O  O9  1  0.174  0.059  0.250  1.0
  O  O10  1  0.154  0.310  0.750  1.0
  O  O11  1  0.384  0.817  0.750  1.0
  O  O12  1  0.338  0.569  0.250  1.0
  O  O13  1  0.678  0.414  0.750  1.0
  O  O14  1  0.626  0.172  0.250  1.0
  O  O15  1  0.865  0.678  0.250  1.0
  O  O16  1  0.781  0.945  0.750  1.0
[/CIF]
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The structure described by LiSm4(HO2)4 crystallizes in the monoclinic Pm space group. Li(1) is bonded in a 7-coordinate geometry to one H(2), two equivalent H(3), one O(1), one O(6), and two equivalent O(8) atoms. There are four inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 6-coordinate geometry to one O(1), one O(7), two equivalent O(3), and two equivalent O(8) atoms. In the second Sm site, Sm(2) is bonded to one O(4), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form distorted edge-sharing SmO6 octahedra. In the third Sm site, Sm(3) is bonded to one O(3), one O(5), two equivalent O(4), and two equivalent O(7) atoms to form distorted edge-sharing SmO6 octahedra. In the fourth Sm site, Sm(4) is bonded in a 6-coordinate geometry to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(4) and one O(7) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one Li(1) and one O(1) atom. In the third H site, H(3) is bonded in a 1-coordinate geometry to two equivalent Li(1), one O(3), and one O(8) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(2) and one O(5) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Li(1), one Sm(1), two equivalent Sm(4), and one H(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sm(4), two equivalent Sm(2), and one H(4) atom. In the third O site, O(3) is bonded to one Sm(3), two equivalent Sm(1), and one H(3) atom to form distorted corner-sharing OSm3H tetrahedra. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Sm(2), two equivalent Sm(3), and one H(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Sm(3), two equivalent Sm(2), and one H(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Sm(2), and two equivalent Sm(4) atoms. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sm(1), two equivalent Sm(3), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Li(1), one Sm(4), two equivalent Sm(1), and one H(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSm4(HO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.326
_cell_length_b   11.189
_cell_length_c   3.621
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   86.803
_symmetry_Int_Tables_number   1
_cell_volume   215.482
_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  0.581  0.995  0.250  1.0
  Sm  Sm1  1  0.090  0.843  0.250  1.0
  Sm  Sm2  1  0.397  0.356  0.250  1.0
  Sm  Sm3  1  0.613  0.640  0.750  1.0
  Sm  Sm4  1  0.903  0.155  0.750  1.0
  H  H5  1  0.155  0.597  0.250  1.0
  H  H6  1  0.318  0.113  0.250  1.0
  H  H7  1  0.628  0.891  0.750  1.0
  H  H8  1  0.864  0.395  0.750  1.0
  O  O9  1  0.174  0.059  0.250  1.0
  O  O10  1  0.154  0.310  0.750  1.0
  O  O11  1  0.384  0.817  0.750  1.0
  O  O12  1  0.338  0.569  0.250  1.0
  O  O13  1  0.678  0.414  0.750  1.0
  O  O14  1  0.626  0.172  0.250  1.0
  O  O15  1  0.865  0.678  0.250  1.0
  O  O16  1  0.781  0.945  0.750  1.0
[/CIF]
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