The material structure described by Sr2FeTaO6 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one Ta(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one Ta(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one Ta(1), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Sr2TaFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.667
_cell_length_b   5.679
_cell_length_c   8.006
_cell_angle_alpha   89.997
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   257.662
_cell_formula_units_Z   2
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
  Fe  Fe0  1  0.000  0.500  0.500  1.0
  Fe  Fe1  1  0.500  1.000  0.000  1.0
  O  O2  1  0.495  0.050  0.253  1.0
  O  O3  1  0.995  0.450  0.247  1.0
  O  O4  1  0.505  0.950  0.747  1.0
  O  O5  1  0.005  0.550  0.753  1.0
  O  O6  1  0.234  0.229  0.526  1.0
  O  O7  1  0.734  0.271  0.974  1.0
  O  O8  1  0.766  0.771  0.474  1.0
  O  O9  1  0.266  0.729  0.026  1.0
  O  O10  1  0.771  0.766  0.026  1.0
  O  O11  1  0.271  0.734  0.474  1.0
  O  O12  1  0.229  0.234  0.974  1.0
  O  O13  1  0.729  0.266  0.526  1.0
  Sr  Sr14  1  0.487  0.497  0.750  1.0
  Sr  Sr15  1  0.987  0.003  0.750  1.0
  Sr  Sr16  1  0.013  0.997  0.250  1.0
  Sr  Sr17  1  0.513  0.503  0.250  1.0
  Ta  Ta18  1  0.000  0.500  1.000  1.0
  Ta  Ta19  1  0.500  1.000  0.500  1.0
[/CIF]
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The material structure described by Sr2FeTaO6 crystallizes in the monoclinic P2_1/c space group. Sr(1) is bonded in a 12-coordinate geometry to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Ta(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form TaO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form FeO6 octahedra that share corners with six equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-16°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one Ta(1), and one Fe(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one Ta(1), and one Fe(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to four equivalent Sr(1), one Ta(1), and one Fe(1) atom. is represented by the CIF card [CIF]
data_Sr2TaFeO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.667
_cell_length_b   5.679
_cell_length_c   8.006
_cell_angle_alpha   89.997
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   257.662
_cell_formula_units_Z   2
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
  Fe  Fe0  1  0.000  0.500  0.500  1.0
  Fe  Fe1  1  0.500  1.000  0.000  1.0
  O  O2  1  0.495  0.050  0.253  1.0
  O  O3  1  0.995  0.450  0.247  1.0
  O  O4  1  0.505  0.950  0.747  1.0
  O  O5  1  0.005  0.550  0.753  1.0
  O  O6  1  0.234  0.229  0.526  1.0
  O  O7  1  0.734  0.271  0.974  1.0
  O  O8  1  0.766  0.771  0.474  1.0
  O  O9  1  0.266  0.729  0.026  1.0
  O  O10  1  0.771  0.766  0.026  1.0
  O  O11  1  0.271  0.734  0.474  1.0
  O  O12  1  0.229  0.234  0.974  1.0
  O  O13  1  0.729  0.266  0.526  1.0
  Sr  Sr14  1  0.487  0.497  0.750  1.0
  Sr  Sr15  1  0.987  0.003  0.750  1.0
  Sr  Sr16  1  0.013  0.997  0.250  1.0
  Sr  Sr17  1  0.513  0.503  0.250  1.0
  Ta  Ta18  1  0.000  0.500  1.000  1.0
  Ta  Ta19  1  0.500  1.000  0.500  1.0
[/CIF]
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