The material structure described by MgSm2(CuO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(7), and one O(8) atom. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(5) atom. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(6) atom. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one O(4), one O(6), and one O(7) atom. In the fourth Cu site, Cu(4) is bonded in a 3-coordinate geometry to one O(3), one O(5), and one O(8) atom. There are eight 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 4-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), and one Cu(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(2), one Cu(2), and one Cu(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(2), one Cu(1), and one Cu(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(2), one Cu(1), and one Cu(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(2), one Cu(2), and one Cu(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), and one Cu(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), and one Cu(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Mg(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.740
_cell_length_b   5.738
_cell_length_c   7.032
_cell_angle_alpha   114.189
_cell_angle_beta   114.039
_cell_angle_gamma   89.982
_symmetry_Int_Tables_number   1
_cell_volume   189.065
_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  0.875  0.125  0.750  1.0
  Sm  Sm1  1  0.125  0.875  0.250  1.0
  Mg  Mg2  1  0.376  0.624  0.750  1.0
  Cu  Cu3  1  0.514  0.064  0.076  1.0
  Cu  Cu4  1  0.563  0.513  0.078  1.0
  Cu  Cu5  1  0.936  0.438  0.424  1.0
  Cu  Cu6  1  0.486  0.485  0.422  1.0
  O  O7  1  0.727  0.529  0.902  1.0
  O  O8  1  0.175  0.872  0.901  1.0
  O  O9  1  0.270  0.472  0.119  1.0
  O  O10  1  0.850  0.148  0.120  1.0
  O  O11  1  0.528  0.150  0.380  1.0
  O  O12  1  0.852  0.731  0.381  1.0
  O  O13  1  0.127  0.273  0.598  1.0
  O  O14  1  0.471  0.825  0.599  1.0
[/CIF]
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The material structure described by MgSm2(CuO2)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(7), and one O(8) atom. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. In the second Sm site, Sm(2) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 3-coordinate geometry to one O(2), one O(4), and one O(5) atom. In the second Cu site, Cu(2) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(6) atom. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one O(4), one O(6), and one O(7) atom. In the fourth Cu site, Cu(4) is bonded in a 3-coordinate geometry to one O(3), one O(5), and one O(8) atom. There are eight 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 4-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), and one Cu(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(2), one Cu(2), and one Cu(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(2), one Cu(1), and one Cu(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(2), one Cu(1), and one Cu(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Sm(1), one Sm(2), one Cu(2), and one Cu(3) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), and one Cu(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one Sm(1), one Sm(2), and one Cu(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sm2Mg(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.740
_cell_length_b   5.738
_cell_length_c   7.032
_cell_angle_alpha   114.189
_cell_angle_beta   114.039
_cell_angle_gamma   89.982
_symmetry_Int_Tables_number   1
_cell_volume   189.065
_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  0.875  0.125  0.750  1.0
  Sm  Sm1  1  0.125  0.875  0.250  1.0
  Mg  Mg2  1  0.376  0.624  0.750  1.0
  Cu  Cu3  1  0.514  0.064  0.076  1.0
  Cu  Cu4  1  0.563  0.513  0.078  1.0
  Cu  Cu5  1  0.936  0.438  0.424  1.0
  Cu  Cu6  1  0.486  0.485  0.422  1.0
  O  O7  1  0.727  0.529  0.902  1.0
  O  O8  1  0.175  0.872  0.901  1.0
  O  O9  1  0.270  0.472  0.119  1.0
  O  O10  1  0.850  0.148  0.120  1.0
  O  O11  1  0.528  0.150  0.380  1.0
  O  O12  1  0.852  0.731  0.381  1.0
  O  O13  1  0.127  0.273  0.598  1.0
  O  O14  1  0.471  0.825  0.599  1.0
[/CIF]
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