The compound described by Sr2MgYFe2TlO7 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to one O(3) and four equivalent O(2) atoms to form distorted SrO5 square pyramids that share corners with five equivalent Sr(1)O5 square pyramids, edges with four equivalent Tl(1)O6 octahedra, and edges with four equivalent Sr(1)O5 square pyramids. Mg(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(1) atoms. Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Fe(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Tl(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TlO6 octahedra that share corners with four equivalent Tl(1)O6 octahedra, edges with four equivalent Tl(1)O6 octahedra, and edges with eight equivalent Sr(1)O5 square pyramids. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted hexagonal planar geometry to two equivalent Mg(1), two equivalent Y(1), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Fe(1), and one Tl(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1) and four equivalent Tl(1) atoms to form a mixture of distorted corner and edge-sharing OSr2Tl4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2YMgTlFe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.918
_cell_length_b   3.918
_cell_length_c   14.357
_cell_angle_alpha   89.988
_cell_angle_beta   89.995
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   220.432
_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  0.836  1.0
  Sr  Sr1  1  0.500  0.500  0.165  1.0
  Y  Y2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  1.000  1.000  0.500  1.0
  Tl  Tl4  1  1.000  1.000  0.000  1.0
  Fe  Fe5  1  0.000  0.000  0.673  1.0
  Fe  Fe6  1  1.000  1.000  0.327  1.0
  O  O7  1  0.500  1.000  0.591  1.0
  O  O8  1  1.000  0.500  0.591  1.0
  O  O9  1  0.500  0.000  0.409  1.0
  O  O10  1  0.000  0.500  0.409  1.0
  O  O11  1  1.000  1.000  0.807  1.0
  O  O12  1  0.000  0.000  0.193  1.0
  O  O13  1  0.500  0.500  0.000  1.0
[/CIF]
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The compound described by Sr2MgYFe2TlO7 crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to one O(3) and four equivalent O(2) atoms to form distorted SrO5 square pyramids that share corners with five equivalent Sr(1)O5 square pyramids, edges with four equivalent Tl(1)O6 octahedra, and edges with four equivalent Sr(1)O5 square pyramids. Mg(1) is bonded in a distorted body-centered cubic geometry to eight equivalent O(1) atoms. Y(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. Fe(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. Tl(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form TlO6 octahedra that share corners with four equivalent Tl(1)O6 octahedra, edges with four equivalent Tl(1)O6 octahedra, and edges with eight equivalent Sr(1)O5 square pyramids. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted hexagonal planar geometry to two equivalent Mg(1), two equivalent Y(1), and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Fe(1), and one Tl(1) atom. In the third O site, O(3) is bonded to two equivalent Sr(1) and four equivalent Tl(1) atoms to form a mixture of distorted corner and edge-sharing OSr2Tl4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2YMgTlFe2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.918
_cell_length_b   3.918
_cell_length_c   14.357
_cell_angle_alpha   89.988
_cell_angle_beta   89.995
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   220.432
_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  0.836  1.0
  Sr  Sr1  1  0.500  0.500  0.165  1.0
  Y  Y2  1  0.500  0.500  0.500  1.0
  Mg  Mg3  1  1.000  1.000  0.500  1.0
  Tl  Tl4  1  1.000  1.000  0.000  1.0
  Fe  Fe5  1  0.000  0.000  0.673  1.0
  Fe  Fe6  1  1.000  1.000  0.327  1.0
  O  O7  1  0.500  1.000  0.591  1.0
  O  O8  1  1.000  0.500  0.591  1.0
  O  O9  1  0.500  0.000  0.409  1.0
  O  O10  1  0.000  0.500  0.409  1.0
  O  O11  1  1.000  1.000  0.807  1.0
  O  O12  1  0.000  0.000  0.193  1.0
  O  O13  1  0.500  0.500  0.000  1.0
[/CIF]
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