The structure described by Sr2LaCu2HgO6 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. La(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Cu(1) is bonded to one O(2) and four equivalent O(1) atoms to form corner-sharing CuO5 square pyramids. Hg(1) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form a mixture of edge, face, and corner-sharing OSr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Cu(1), and one Hg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2LaCu2HgO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.950
_cell_length_b   3.950
_cell_length_c   12.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.054
_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  0.500  0.500  0.222  1.0
  Sr  Sr1  1  0.500  0.500  0.778  1.0
  La  La2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.362  1.0
  Cu  Cu4  1  0.000  0.000  0.638  1.0
  Hg  Hg5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.000  0.500  0.368  1.0
  O  O7  1  0.000  0.500  0.632  1.0
  O  O8  1  0.500  0.000  0.368  1.0
  O  O9  1  0.500  0.000  0.632  1.0
  O  O10  1  0.000  0.000  0.166  1.0
  O  O11  1  0.000  0.000  0.834  1.0
[/CIF]
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The structure described by Sr2LaCu2HgO6 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. La(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Cu(1) is bonded to one O(2) and four equivalent O(1) atoms to form corner-sharing CuO5 square pyramids. Hg(1) is bonded in a linear geometry to two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent La(1), and two equivalent Cu(1) atoms to form a mixture of edge, face, and corner-sharing OSr2La2Cu2 octahedra. The corner-sharing octahedral tilt angles range from 0-66°. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Cu(1), and one Hg(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2LaCu2HgO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.950
_cell_length_b   3.950
_cell_length_c   12.503
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   195.054
_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  0.500  0.500  0.222  1.0
  Sr  Sr1  1  0.500  0.500  0.778  1.0
  La  La2  1  0.500  0.500  0.500  1.0
  Cu  Cu3  1  0.000  0.000  0.362  1.0
  Cu  Cu4  1  0.000  0.000  0.638  1.0
  Hg  Hg5  1  0.000  0.000  0.000  1.0
  O  O6  1  0.000  0.500  0.368  1.0
  O  O7  1  0.000  0.500  0.632  1.0
  O  O8  1  0.500  0.000  0.368  1.0
  O  O9  1  0.500  0.000  0.632  1.0
  O  O10  1  0.000  0.000  0.166  1.0
  O  O11  1  0.000  0.000  0.834  1.0
[/CIF]
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