The crystal structure described by MgSm2Ti2(O3Cl)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent Cl(1) atoms to form edge-sharing MgCl4O2 octahedra. Sm(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), two equivalent O(2), and three equivalent Cl(1) atoms. Ti(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(3), and three equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sm(1) and three equivalent Ti(1) atoms. In the second O site, O(2) is bonded to one Mg(1), two equivalent Sm(1), and one Ti(1) atom to form distorted corner-sharing OSm2MgTi trigonal pyramids. In the third O site, O(3) is bonded in a T-shaped geometry to one Sm(1) and two equivalent Ti(1) atoms. Cl(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1) and three equivalent Sm(1) atoms. is represented by the CIF card [CIF]
data_Sm2MgTi2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.840
_cell_length_b   5.886
_cell_length_c   10.080
_cell_angle_alpha   69.610
_cell_angle_beta   79.019
_cell_angle_gamma   70.961
_symmetry_Int_Tables_number   1
_cell_volume   201.107
_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
  Sm  Sm0  1  0.233  0.764  0.770  1.0
  Sm  Sm1  1  0.767  0.236  0.230  1.0
  Mg  Mg2  1  0.500  0.000  0.000  1.0
  Ti  Ti3  1  0.604  0.227  0.565  1.0
  Ti  Ti4  1  0.396  0.773  0.435  1.0
  Cl  Cl5  1  0.879  0.323  0.918  1.0
  Cl  Cl6  1  0.121  0.677  0.082  1.0
  O  O7  1  0.161  0.106  0.571  1.0
  O  O8  1  0.623  0.947  0.808  1.0
  O  O9  1  0.839  0.894  0.429  1.0
  O  O10  1  0.425  0.522  0.628  1.0
  O  O11  1  0.377  0.053  0.192  1.0
  O  O12  1  0.575  0.478  0.372  1.0
[/CIF]
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The crystal structure described by MgSm2Ti2(O3Cl)2 crystallizes in the monoclinic C2/m space group. Mg(1) is bonded to two equivalent O(2) and four equivalent Cl(1) atoms to form edge-sharing MgCl4O2 octahedra. Sm(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), two equivalent O(2), and three equivalent Cl(1) atoms. Ti(1) is bonded in a 6-coordinate geometry to one O(2), two equivalent O(3), and three equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Sm(1) and three equivalent Ti(1) atoms. In the second O site, O(2) is bonded to one Mg(1), two equivalent Sm(1), and one Ti(1) atom to form distorted corner-sharing OSm2MgTi trigonal pyramids. In the third O site, O(3) is bonded in a T-shaped geometry to one Sm(1) and two equivalent Ti(1) atoms. Cl(1) is bonded in a 5-coordinate geometry to two equivalent Mg(1) and three equivalent Sm(1) atoms. is represented by the CIF card [CIF]
data_Sm2MgTi2(ClO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.840
_cell_length_b   5.886
_cell_length_c   10.080
_cell_angle_alpha   69.610
_cell_angle_beta   79.019
_cell_angle_gamma   70.961
_symmetry_Int_Tables_number   1
_cell_volume   201.107
_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
  Sm  Sm0  1  0.233  0.764  0.770  1.0
  Sm  Sm1  1  0.767  0.236  0.230  1.0
  Mg  Mg2  1  0.500  0.000  0.000  1.0
  Ti  Ti3  1  0.604  0.227  0.565  1.0
  Ti  Ti4  1  0.396  0.773  0.435  1.0
  Cl  Cl5  1  0.879  0.323  0.918  1.0
  Cl  Cl6  1  0.121  0.677  0.082  1.0
  O  O7  1  0.161  0.106  0.571  1.0
  O  O8  1  0.623  0.947  0.808  1.0
  O  O9  1  0.839  0.894  0.429  1.0
  O  O10  1  0.425  0.522  0.628  1.0
  O  O11  1  0.377  0.053  0.192  1.0
  O  O12  1  0.575  0.478  0.372  1.0
[/CIF]
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