The structure described by Sr2MgYCu2TlO7 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Y(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Cu(1) is bonded in a distorted trigonal planar geometry to one O(2) and two equivalent O(1) atoms. Tl(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Mg(1), two equivalent Y(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), one Cu(1), and one Tl(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Tl(1) atom. is represented by the CIF card [CIF]
data_Sr2YMgTlCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.251
_cell_length_b   4.251
_cell_length_c   11.951
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   85.830
_symmetry_Int_Tables_number   1
_cell_volume   215.355
_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
  Sr  Sr0  1  0.590  0.590  0.791  1.0
  Sr  Sr1  1  0.590  0.590  0.209  1.0
  Y  Y2  1  0.360  0.360  0.500  1.0
  Mg  Mg3  1  0.819  0.819  0.500  1.0
  Tl  Tl4  1  0.132  0.132  0.000  1.0
  Cu  Cu5  1  0.095  0.095  0.701  1.0
  Cu  Cu6  1  0.095  0.095  0.299  1.0
  O  O7  1  0.447  0.919  0.608  1.0
  O  O8  1  0.919  0.447  0.608  1.0
  O  O9  1  0.447  0.919  0.392  1.0
  O  O10  1  0.919  0.447  0.392  1.0
  O  O11  1  0.963  0.963  0.840  1.0
  O  O12  1  0.963  0.963  0.160  1.0
  O  O13  1  0.483  0.483  0.000  1.0
[/CIF]
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The structure described by Sr2MgYCu2TlO7 crystallizes in the orthorhombic Amm2 space group. Sr(1) is bonded in a 4-coordinate geometry to one O(2), one O(3), and two equivalent O(1) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Y(1) is bonded in a 8-coordinate geometry to eight equivalent O(1) atoms. Cu(1) is bonded in a distorted trigonal planar geometry to one O(2) and two equivalent O(1) atoms. Tl(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Sr(1), one Mg(1), two equivalent Y(1), and one Cu(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), one Cu(1), and one Tl(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Sr(1) and one Tl(1) atom. is represented by the CIF card [CIF]
data_Sr2YMgTlCu2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.251
_cell_length_b   4.251
_cell_length_c   11.951
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   85.830
_symmetry_Int_Tables_number   1
_cell_volume   215.355
_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
  Sr  Sr0  1  0.590  0.590  0.791  1.0
  Sr  Sr1  1  0.590  0.590  0.209  1.0
  Y  Y2  1  0.360  0.360  0.500  1.0
  Mg  Mg3  1  0.819  0.819  0.500  1.0
  Tl  Tl4  1  0.132  0.132  0.000  1.0
  Cu  Cu5  1  0.095  0.095  0.701  1.0
  Cu  Cu6  1  0.095  0.095  0.299  1.0
  O  O7  1  0.447  0.919  0.608  1.0
  O  O8  1  0.919  0.447  0.608  1.0
  O  O9  1  0.447  0.919  0.392  1.0
  O  O10  1  0.919  0.447  0.392  1.0
  O  O11  1  0.963  0.963  0.840  1.0
  O  O12  1  0.963  0.963  0.160  1.0
  O  O13  1  0.483  0.483  0.000  1.0
[/CIF]
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