The compound described by MgSm2(CuO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted trigonal pyramidal geometry to one O(1), one O(4), one O(5), and one O(6) atom. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms. In the second Sm site, Sm(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), and one Cu(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sm(1), two equivalent Sm(2), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded to one Sm(1), one Sm(2), one Cu(1), and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OSm2Cu2 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), one Sm(1), one Sm(2), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OSm2MgCu tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Sm(2), two equivalent Sm(1), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sm(1), one Sm(2), and one Cu(2) atom. is represented by the CIF card [CIF]
data_Sm2Mg(CuO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.255
_cell_length_b   5.860
_cell_length_c   6.024
_cell_angle_alpha   73.252
_cell_angle_beta   61.020
_cell_angle_gamma   64.255
_symmetry_Int_Tables_number   1
_cell_volume   145.448
_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  0.304  0.218  0.161  1.0
  Sm  Sm1  1  0.805  0.619  0.819  1.0
  Mg  Mg2  1  0.701  0.156  0.507  1.0
  Cu  Cu3  1  0.040  0.924  0.999  1.0
  Cu  Cu4  1  0.474  0.674  0.494  1.0
  O  O5  1  0.087  0.859  0.461  1.0
  O  O6  1  0.271  0.582  0.865  1.0
  O  O7  1  0.684  0.825  0.172  1.0
  O  O8  1  0.412  0.024  0.815  1.0
  O  O9  1  0.744  0.267  0.143  1.0
  O  O10  1  0.866  0.402  0.515  1.0
[/CIF]
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The compound described by MgSm2(CuO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a distorted trigonal pyramidal geometry to one O(1), one O(4), one O(5), and one O(6) atom. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(6), and two equivalent O(5) atoms. In the second Sm site, Sm(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(3), one O(4), and one O(5) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(2), one O(3), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), and one Cu(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Sm(1), two equivalent Sm(2), one Cu(1), and one Cu(2) atom. In the third O site, O(3) is bonded to one Sm(1), one Sm(2), one Cu(1), and one Cu(2) atom to form a mixture of distorted edge and corner-sharing OSm2Cu2 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), one Sm(1), one Sm(2), and one Cu(1) atom to form a mixture of distorted edge and corner-sharing OSm2MgCu tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Mg(1), one Sm(2), two equivalent Sm(1), and one Cu(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sm(1), one Sm(2), and one Cu(2) atom. is represented by the CIF card [CIF]
data_Sm2Mg(CuO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.255
_cell_length_b   5.860
_cell_length_c   6.024
_cell_angle_alpha   73.252
_cell_angle_beta   61.020
_cell_angle_gamma   64.255
_symmetry_Int_Tables_number   1
_cell_volume   145.448
_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  0.304  0.218  0.161  1.0
  Sm  Sm1  1  0.805  0.619  0.819  1.0
  Mg  Mg2  1  0.701  0.156  0.507  1.0
  Cu  Cu3  1  0.040  0.924  0.999  1.0
  Cu  Cu4  1  0.474  0.674  0.494  1.0
  O  O5  1  0.087  0.859  0.461  1.0
  O  O6  1  0.271  0.582  0.865  1.0
  O  O7  1  0.684  0.825  0.172  1.0
  O  O8  1  0.412  0.024  0.815  1.0
  O  O9  1  0.744  0.267  0.143  1.0
  O  O10  1  0.866  0.402  0.515  1.0
[/CIF]
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