The material described by Sr3TaCoO7 is (La,Ba)CuO4-derived structured and crystallizes in the monoclinic Pc space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(5), and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(6), two equivalent O(7), and four equivalent O(2) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. Ta(1) is bonded to one O(2), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form TaO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. Co(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), four equivalent Sr(3), and one Co(1) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(4)Sr4Co2 octahedra, corners with four equivalent O(5)Sr4Co2 octahedra, corners with four equivalent O(1)Sr5Co octahedra, edges with four equivalent O(1)Sr5Co octahedra, edges with four equivalent O(2)Sr5Ta octahedra, faces with two equivalent O(4)Sr4Co2 octahedra, and faces with two equivalent O(5)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 14-56°. In the second O site, O(2) is bonded to one Sr(3), four equivalent Sr(2), and one Ta(1) atom to form distorted OSr5Ta octahedra that share corners with two equivalent O(4)Sr4Co2 octahedra, corners with two equivalent O(5)Sr4Co2 octahedra, corners with four equivalent O(2)Sr5Ta octahedra, edges with four equivalent O(1)Sr5Co octahedra, and edges with four equivalent O(2)Sr5Ta octahedra. The corner-sharing octahedral tilt angles range from 3-47°. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Sr(1), one Ta(1), and one Co(1) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(5)Sr4Co2 octahedra, corners with two equivalent O(2)Sr5Ta octahedra, corners with four equivalent O(1)Sr5Co octahedra, edges with two equivalent O(5)Sr4Co2 octahedra, faces with two equivalent O(4)Sr4Co2 octahedra, faces with two equivalent O(5)Sr4Co2 octahedra, and faces with two equivalent O(1)Sr5Co octahedra. The corner-sharing octahedral tilt angles range from 12-56°. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(4)Sr4Co2 octahedra, corners with two equivalent O(2)Sr5Ta octahedra, corners with four equivalent O(1)Sr5Co octahedra, edges with two equivalent O(4)Sr4Co2 octahedra, faces with two equivalent O(4)Sr4Co2 octahedra, faces with two equivalent O(5)Sr4Co2 octahedra, and faces with two equivalent O(1)Sr5Co octahedra. The corner-sharing octahedral tilt angles range from 12-56°. In the sixth O site, O(6) is bonded in a distorted linear geometry to two equivalent Sr(2) and two equivalent Ta(1) atoms. In the seventh O site, O(7) is bonded in a distorted linear geometry to two equivalent Sr(2) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_Sr3TaCoO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.594
_cell_length_b   5.596
_cell_length_c   11.158
_cell_angle_alpha   89.999
_cell_angle_beta   75.553
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   338.264
_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
  Co  Co0  1  0.391  0.504  0.214  1.0
  Co  Co1  1  0.891  0.996  0.214  1.0
  O  O2  1  0.300  0.501  0.398  1.0
  O  O3  1  0.800  0.999  0.398  1.0
  O  O4  1  0.195  0.003  0.610  1.0
  O  O5  1  0.695  0.497  0.610  1.0
  O  O6  1  0.011  0.996  0.980  1.0
  O  O7  1  0.511  0.504  0.980  1.0
  O  O8  1  0.670  0.235  0.193  1.0
  O  O9  1  0.140  0.765  0.195  1.0
  O  O10  1  0.170  0.265  0.193  1.0
  O  O11  1  0.640  0.735  0.195  1.0
  O  O12  1  0.853  0.250  0.794  1.0
  O  O13  1  0.354  0.750  0.791  1.0
  O  O14  1  0.353  0.250  0.794  1.0
  O  O15  1  0.854  0.750  0.791  1.0
  Sr  Sr16  1  0.481  0.002  0.039  1.0
  Sr  Sr17  1  0.981  0.498  0.039  1.0
  Sr  Sr18  1  0.191  0.500  0.616  1.0
  Sr  Sr19  1  0.691  0.000  0.616  1.0
  Sr  Sr20  1  0.316  0.002  0.367  1.0
  Sr  Sr21  1  0.816  0.498  0.367  1.0
  Ta  Ta22  1  0.098  1.000  0.803  1.0
  Ta  Ta23  1  0.598  0.500  0.803  1.0
[/CIF]
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The material described by Sr3TaCoO7 is (La,Ba)CuO4-derived structured and crystallizes in the monoclinic Pc space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(4), two equivalent O(5), and four equivalent O(3) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(6), two equivalent O(7), and four equivalent O(2) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(4), two equivalent O(5), and four equivalent O(1) atoms. Ta(1) is bonded to one O(2), one O(3), two equivalent O(6), and two equivalent O(7) atoms to form TaO6 octahedra that share  a cornercorner with one Co(1)O6 octahedra and corners with four equivalent Ta(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. Co(1) is bonded to one O(1), one O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Ta(1)O6 octahedra and corners with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. There are seven inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), four equivalent Sr(3), and one Co(1) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(4)Sr4Co2 octahedra, corners with four equivalent O(5)Sr4Co2 octahedra, corners with four equivalent O(1)Sr5Co octahedra, edges with four equivalent O(1)Sr5Co octahedra, edges with four equivalent O(2)Sr5Ta octahedra, faces with two equivalent O(4)Sr4Co2 octahedra, and faces with two equivalent O(5)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 14-56°. In the second O site, O(2) is bonded to one Sr(3), four equivalent Sr(2), and one Ta(1) atom to form distorted OSr5Ta octahedra that share corners with two equivalent O(4)Sr4Co2 octahedra, corners with two equivalent O(5)Sr4Co2 octahedra, corners with four equivalent O(2)Sr5Ta octahedra, edges with four equivalent O(1)Sr5Co octahedra, and edges with four equivalent O(2)Sr5Ta octahedra. The corner-sharing octahedral tilt angles range from 3-47°. In the third O site, O(3) is bonded in a distorted single-bond geometry to four equivalent Sr(1), one Ta(1), and one Co(1) atom. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(5)Sr4Co2 octahedra, corners with two equivalent O(2)Sr5Ta octahedra, corners with four equivalent O(1)Sr5Co octahedra, edges with two equivalent O(5)Sr4Co2 octahedra, faces with two equivalent O(4)Sr4Co2 octahedra, faces with two equivalent O(5)Sr4Co2 octahedra, and faces with two equivalent O(1)Sr5Co octahedra. The corner-sharing octahedral tilt angles range from 12-56°. In the fifth O site, O(5) is bonded to two equivalent Sr(1), two equivalent Sr(3), and two equivalent Co(1) atoms to form distorted OSr4Co2 octahedra that share corners with two equivalent O(4)Sr4Co2 octahedra, corners with two equivalent O(2)Sr5Ta octahedra, corners with four equivalent O(1)Sr5Co octahedra, edges with two equivalent O(4)Sr4Co2 octahedra, faces with two equivalent O(4)Sr4Co2 octahedra, faces with two equivalent O(5)Sr4Co2 octahedra, and faces with two equivalent O(1)Sr5Co octahedra. The corner-sharing octahedral tilt angles range from 12-56°. In the sixth O site, O(6) is bonded in a distorted linear geometry to two equivalent Sr(2) and two equivalent Ta(1) atoms. In the seventh O site, O(7) is bonded in a distorted linear geometry to two equivalent Sr(2) and two equivalent Ta(1) atoms. is represented by the CIF file [CIF]
data_Sr3TaCoO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.594
_cell_length_b   5.596
_cell_length_c   11.158
_cell_angle_alpha   89.999
_cell_angle_beta   75.553
_cell_angle_gamma   89.996
_symmetry_Int_Tables_number   1
_cell_volume   338.264
_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
  Co  Co0  1  0.391  0.504  0.214  1.0
  Co  Co1  1  0.891  0.996  0.214  1.0
  O  O2  1  0.300  0.501  0.398  1.0
  O  O3  1  0.800  0.999  0.398  1.0
  O  O4  1  0.195  0.003  0.610  1.0
  O  O5  1  0.695  0.497  0.610  1.0
  O  O6  1  0.011  0.996  0.980  1.0
  O  O7  1  0.511  0.504  0.980  1.0
  O  O8  1  0.670  0.235  0.193  1.0
  O  O9  1  0.140  0.765  0.195  1.0
  O  O10  1  0.170  0.265  0.193  1.0
  O  O11  1  0.640  0.735  0.195  1.0
  O  O12  1  0.853  0.250  0.794  1.0
  O  O13  1  0.354  0.750  0.791  1.0
  O  O14  1  0.353  0.250  0.794  1.0
  O  O15  1  0.854  0.750  0.791  1.0
  Sr  Sr16  1  0.481  0.002  0.039  1.0
  Sr  Sr17  1  0.981  0.498  0.039  1.0
  Sr  Sr18  1  0.191  0.500  0.616  1.0
  Sr  Sr19  1  0.691  0.000  0.616  1.0
  Sr  Sr20  1  0.316  0.002  0.367  1.0
  Sr  Sr21  1  0.816  0.498  0.367  1.0
  Ta  Ta22  1  0.098  1.000  0.803  1.0
  Ta  Ta23  1  0.598  0.500  0.803  1.0
[/CIF]
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