The material described by Sr3TaCoO7 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4_1cd space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(3) and four equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(5) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(4) atoms. Ta(1) is bonded to one O(2), one O(3), and four equivalent O(5) 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 0-6°. Co(1) is bonded to one O(1), one O(3), and four equivalent O(4) 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 0-11°. There are five 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(1)Sr5Co octahedra, corners with eight equivalent O(4)Sr4Co2 octahedra, edges with four equivalent O(1)Sr5Co octahedra, edges with four equivalent O(2)Sr5Ta octahedra, and faces with four equivalent O(4)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 14-55°. In the second O site, O(2) is bonded to one Sr(3), four equivalent Sr(2), and one Ta(1) atom to form OSr5Ta octahedra that share corners with four equivalent O(4)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 2-47°. 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(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(1)Sr5Co octahedra, and faces with four equivalent O(4)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 11-55°. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Sr(2) and two equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_Sr3TaCoO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.600
_cell_length_b   5.600
_cell_length_c   21.829
_cell_angle_alpha   97.370
_cell_angle_beta   82.630
_cell_angle_gamma   90.007
_symmetry_Int_Tables_number   1
_cell_volume   673.114
_cell_formula_units_Z   4
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  0.509  0.991  0.982  1.0
  Sr  Sr1  1  0.259  0.741  0.482  1.0
  Sr  Sr2  1  0.009  0.491  0.982  1.0
  Sr  Sr3  1  0.759  0.241  0.482  1.0
  Sr  Sr4  1  0.654  0.346  0.692  1.0
  Sr  Sr5  1  0.404  0.096  0.192  1.0
  Sr  Sr6  1  0.154  0.846  0.692  1.0
  Sr  Sr7  1  0.904  0.596  0.192  1.0
  Sr  Sr8  1  0.591  0.909  0.818  1.0
  Sr  Sr9  1  0.341  0.659  0.318  1.0
  Sr  Sr10  1  0.091  0.409  0.818  1.0
  Sr  Sr11  1  0.841  0.159  0.318  1.0
  Ta  Ta12  1  0.701  0.799  0.597  1.0
  Ta  Ta13  1  0.451  0.549  0.098  1.0
  Ta  Ta14  1  0.201  0.299  0.597  1.0
  Ta  Ta15  1  0.951  0.049  0.098  1.0
  Co  Co16  1  0.303  0.197  0.395  1.0
  Co  Co17  1  0.053  0.947  0.895  1.0
  Co  Co18  1  0.553  0.447  0.895  1.0
  Co  Co19  1  0.803  0.697  0.395  1.0
  O  O20  1  0.599  0.401  0.802  1.0
  O  O21  1  0.349  0.151  0.302  1.0
  O  O22  1  0.099  0.901  0.802  1.0
  O  O23  1  0.849  0.651  0.302  1.0
  O  O24  1  0.653  0.847  0.694  1.0
  O  O25  1  0.403  0.597  0.194  1.0
  O  O26  1  0.153  0.347  0.694  1.0
  O  O27  1  0.903  0.097  0.194  1.0
  O  O28  1  0.746  0.754  0.508  1.0
  O  O29  1  0.496  0.504  0.008  1.0
  O  O30  1  0.246  0.254  0.508  1.0
  O  O31  1  0.996  0.004  0.008  1.0
  O  O32  1  0.311  0.215  0.904  1.0
  O  O33  1  0.035  0.939  0.404  1.0
  O  O34  1  0.785  0.689  0.904  1.0
  O  O35  1  0.561  0.465  0.404  1.0
  O  O36  1  0.811  0.189  0.904  1.0
  O  O37  1  0.535  0.965  0.404  1.0
  O  O38  1  0.285  0.715  0.904  1.0
  O  O39  1  0.061  0.439  0.404  1.0
  O  O40  1  0.949  0.051  0.602  1.0
  O  O41  1  0.699  0.801  0.102  1.0
  O  O42  1  0.449  0.551  0.602  1.0
  O  O43  1  0.199  0.301  0.102  1.0
  O  O44  1  0.449  0.051  0.602  1.0
  O  O45  1  0.199  0.801  0.102  1.0
  O  O46  1  0.949  0.551  0.602  1.0
  O  O47  1  0.699  0.301  0.102  1.0
[/CIF]
.
The material described by Sr3TaCoO7 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4_1cd space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to four equivalent O(3) and four equivalent O(4) atoms. In the second Sr site, Sr(2) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(5) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(2), four equivalent O(1), and four equivalent O(4) atoms. Ta(1) is bonded to one O(2), one O(3), and four equivalent O(5) 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 0-6°. Co(1) is bonded to one O(1), one O(3), and four equivalent O(4) 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 0-11°. There are five 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(1)Sr5Co octahedra, corners with eight equivalent O(4)Sr4Co2 octahedra, edges with four equivalent O(1)Sr5Co octahedra, edges with four equivalent O(2)Sr5Ta octahedra, and faces with four equivalent O(4)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 14-55°. In the second O site, O(2) is bonded to one Sr(3), four equivalent Sr(2), and one Ta(1) atom to form OSr5Ta octahedra that share corners with four equivalent O(4)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 2-47°. 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(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(1)Sr5Co octahedra, and faces with four equivalent O(4)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 11-55°. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Sr(2) and two equivalent Ta(1) atoms. is represented by the CIF card [CIF]
data_Sr3TaCoO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.600
_cell_length_b   5.600
_cell_length_c   21.829
_cell_angle_alpha   97.370
_cell_angle_beta   82.630
_cell_angle_gamma   90.007
_symmetry_Int_Tables_number   1
_cell_volume   673.114
_cell_formula_units_Z   4
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  0.509  0.991  0.982  1.0
  Sr  Sr1  1  0.259  0.741  0.482  1.0
  Sr  Sr2  1  0.009  0.491  0.982  1.0
  Sr  Sr3  1  0.759  0.241  0.482  1.0
  Sr  Sr4  1  0.654  0.346  0.692  1.0
  Sr  Sr5  1  0.404  0.096  0.192  1.0
  Sr  Sr6  1  0.154  0.846  0.692  1.0
  Sr  Sr7  1  0.904  0.596  0.192  1.0
  Sr  Sr8  1  0.591  0.909  0.818  1.0
  Sr  Sr9  1  0.341  0.659  0.318  1.0
  Sr  Sr10  1  0.091  0.409  0.818  1.0
  Sr  Sr11  1  0.841  0.159  0.318  1.0
  Ta  Ta12  1  0.701  0.799  0.597  1.0
  Ta  Ta13  1  0.451  0.549  0.098  1.0
  Ta  Ta14  1  0.201  0.299  0.597  1.0
  Ta  Ta15  1  0.951  0.049  0.098  1.0
  Co  Co16  1  0.303  0.197  0.395  1.0
  Co  Co17  1  0.053  0.947  0.895  1.0
  Co  Co18  1  0.553  0.447  0.895  1.0
  Co  Co19  1  0.803  0.697  0.395  1.0
  O  O20  1  0.599  0.401  0.802  1.0
  O  O21  1  0.349  0.151  0.302  1.0
  O  O22  1  0.099  0.901  0.802  1.0
  O  O23  1  0.849  0.651  0.302  1.0
  O  O24  1  0.653  0.847  0.694  1.0
  O  O25  1  0.403  0.597  0.194  1.0
  O  O26  1  0.153  0.347  0.694  1.0
  O  O27  1  0.903  0.097  0.194  1.0
  O  O28  1  0.746  0.754  0.508  1.0
  O  O29  1  0.496  0.504  0.008  1.0
  O  O30  1  0.246  0.254  0.508  1.0
  O  O31  1  0.996  0.004  0.008  1.0
  O  O32  1  0.311  0.215  0.904  1.0
  O  O33  1  0.035  0.939  0.404  1.0
  O  O34  1  0.785  0.689  0.904  1.0
  O  O35  1  0.561  0.465  0.404  1.0
  O  O36  1  0.811  0.189  0.904  1.0
  O  O37  1  0.535  0.965  0.404  1.0
  O  O38  1  0.285  0.715  0.904  1.0
  O  O39  1  0.061  0.439  0.404  1.0
  O  O40  1  0.949  0.051  0.602  1.0
  O  O41  1  0.699  0.801  0.102  1.0
  O  O42  1  0.449  0.551  0.602  1.0
  O  O43  1  0.199  0.301  0.102  1.0
  O  O44  1  0.449  0.051  0.602  1.0
  O  O45  1  0.199  0.801  0.102  1.0
  O  O46  1  0.949  0.551  0.602  1.0
  O  O47  1  0.699  0.301  0.102  1.0
[/CIF]
.