The material described by Sr3TaCoO7 is (La,Ba)CuO4-derived structured and crystallizes in the monoclinic C2 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(10), two equivalent O(3), two equivalent O(4), and two equivalent O(9) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(10), two equivalent O(3), two equivalent O(4), and two equivalent O(9) atoms. In the fifth Sr site, Sr(5) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms. In the sixth Sr site, Sr(6) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(3), one O(5), two equivalent O(10), and two equivalent O(9) atoms to form TaO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra and corners with four equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second Ta site, Ta(2) is bonded to one O(4), one O(6), two equivalent O(10), and two equivalent O(9) 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°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(6), two equivalent O(7), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Ta(2)O6 octahedra and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second Co site, Co(2) is bonded to one O(2), one O(5), two equivalent O(7), and two equivalent O(8) atoms to form 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 eleven inequivalent O sites. In the first O site, O(1) is bonded to one Sr(3), two equivalent Sr(5), two equivalent Sr(6), and one Co(1) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(7)Sr4Co2 octahedra, corners with four equivalent O(8)Sr4Co2 octahedra, corners with four equivalent O(1)Sr5Co octahedra, edges with two equivalent O(3)Sr5Ta octahedra, edges with two equivalent O(4)Sr5Ta octahedra, edges with four equivalent O(2)Sr5Co octahedra, faces with two equivalent O(7)Sr4Co2 octahedra, and faces with two equivalent O(8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 16-55°. In the second O site, O(2) is bonded to one Sr(4), two equivalent Sr(5), two equivalent Sr(6), and one Co(2) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(7)Sr4Co2 octahedra, corners with four equivalent O(8)Sr4Co2 octahedra, corners with four equivalent O(2)Sr5Co octahedra, edges with two equivalent O(3)Sr5Ta octahedra, edges with two equivalent O(4)Sr5Ta octahedra, edges with four equivalent O(1)Sr5Co octahedra, faces with two equivalent O(7)Sr4Co2 octahedra, and faces with two equivalent O(8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 12-56°. In the third O site, O(3) is bonded to one Sr(5), two equivalent Sr(3), two equivalent Sr(4), and one Ta(1) atom to form OSr5Ta octahedra that share corners with two equivalent O(7)Sr4Co2 octahedra, corners with two equivalent O(8)Sr4Co2 octahedra, corners with four equivalent O(3)Sr5Ta octahedra, edges with two equivalent O(1)Sr5Co octahedra, edges with two equivalent O(2)Sr5Co octahedra, and edges with four equivalent O(4)Sr5Ta octahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the fourth O site, O(4) is bonded to one Sr(6), two equivalent Sr(3), two equivalent Sr(4), and one Ta(2) atom to form OSr5Ta octahedra that share corners with two equivalent O(7)Sr4Co2 octahedra, corners with two equivalent O(8)Sr4Co2 octahedra, corners with four equivalent O(4)Sr5Ta octahedra, edges with two equivalent O(1)Sr5Co octahedra, edges with two equivalent O(2)Sr5Co octahedra, and edges with four equivalent O(3)Sr5Ta octahedra. The corner-sharing octahedral tilt angles range from 1-48°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(2), and one Co(1) atom. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(2), one Sr(5), one Sr(6), one Co(1), and one Co(2) atom to form distorted OSr4Co2 octahedra that share  a cornercorner with one O(3)Sr5Ta octahedra,  a cornercorner with one O(4)Sr5Ta octahedra, corners with two equivalent O(7)Sr4Co2 octahedra, corners with two equivalent O(1)Sr5Co octahedra, corners with two equivalent O(2)Sr5Co octahedra, edges with two equivalent O(7)Sr4Co2 octahedra,  a faceface with one O(1)Sr5Co octahedra,  a faceface with one O(2)Sr5Co octahedra, and faces with four equivalent O(8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 7-56°. In the eighth O site, O(8) is bonded to one Sr(1), one Sr(2), one Sr(5), one Sr(6), one Co(1), and one Co(2) atom to form distorted OSr4Co2 octahedra that share  a cornercorner with one O(3)Sr5Ta octahedra,  a cornercorner with one O(4)Sr5Ta octahedra, corners with two equivalent O(8)Sr4Co2 octahedra, corners with two equivalent O(1)Sr5Co octahedra, corners with two equivalent O(2)Sr5Co octahedra, edges with two equivalent O(8)Sr4Co2 octahedra,  a faceface with one O(1)Sr5Co octahedra,  a faceface with one O(2)Sr5Co octahedra, and faces with four equivalent O(7)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 7-55°. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), one Ta(1), and one Ta(2) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), one Ta(1), and one Ta(2) atom. In the eleventh O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(1), and one Co(2) atom. 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   11.002
_cell_length_c   5.600
_cell_angle_alpha   104.741
_cell_angle_beta   90.052
_cell_angle_gamma   89.990
_symmetry_Int_Tables_number   1
_cell_volume   333.646
_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
  Sr  Sr0  1  0.500  0.963  0.981  1.0
  Sr  Sr1  1  1.000  0.962  0.481  1.0
  Sr  Sr2  1  1.000  0.383  0.691  1.0
  Sr  Sr3  1  0.500  0.387  0.194  1.0
  Sr  Sr4  1  0.500  0.638  0.819  1.0
  Sr  Sr5  1  0.001  0.637  0.319  1.0
  Ta  Ta6  1  0.500  0.194  0.597  1.0
  Ta  Ta7  1  1.000  0.195  0.097  1.0
  Co  Co8  1  0.000  0.786  0.893  1.0
  Co  Co9  1  0.501  0.796  0.398  1.0
  O  O10  1  1.000  0.601  0.800  1.0
  O  O11  1  0.500  0.610  0.305  1.0
  O  O12  1  0.500  0.388  0.694  1.0
  O  O13  1  0.000  0.390  0.195  1.0
  O  O14  1  0.500  0.012  0.506  1.0
  O  O15  1  1.000  0.016  0.008  1.0
  O  O16  1  0.764  0.808  0.669  1.0
  O  O17  1  0.235  0.808  0.139  1.0
  O  O18  1  0.735  0.807  0.167  1.0
  O  O19  1  0.264  0.807  0.639  1.0
  O  O20  1  0.749  0.204  0.852  1.0
  O  O21  1  0.251  0.204  0.352  1.0
  O  O22  1  0.749  0.204  0.352  1.0
  O  O23  1  0.250  0.204  0.852  1.0
[/CIF]
.
The material described by Sr3TaCoO7 is (La,Ba)CuO4-derived structured and crystallizes in the monoclinic C2 space group. There are six inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the second Sr site, Sr(2) is bonded in a 8-coordinate geometry to two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms. In the third Sr site, Sr(3) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(10), two equivalent O(3), two equivalent O(4), and two equivalent O(9) atoms. In the fourth Sr site, Sr(4) is bonded in a 9-coordinate geometry to one O(2), two equivalent O(10), two equivalent O(3), two equivalent O(4), and two equivalent O(9) atoms. In the fifth Sr site, Sr(5) is bonded in a 9-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms. In the sixth Sr site, Sr(6) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to one O(3), one O(5), two equivalent O(10), and two equivalent O(9) atoms to form TaO6 octahedra that share  a cornercorner with one Co(2)O6 octahedra and corners with four equivalent Ta(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second Ta site, Ta(2) is bonded to one O(4), one O(6), two equivalent O(10), and two equivalent O(9) 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°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(6), two equivalent O(7), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share  a cornercorner with one Ta(2)O6 octahedra and corners with four equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second Co site, Co(2) is bonded to one O(2), one O(5), two equivalent O(7), and two equivalent O(8) atoms to form 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 eleven inequivalent O sites. In the first O site, O(1) is bonded to one Sr(3), two equivalent Sr(5), two equivalent Sr(6), and one Co(1) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(7)Sr4Co2 octahedra, corners with four equivalent O(8)Sr4Co2 octahedra, corners with four equivalent O(1)Sr5Co octahedra, edges with two equivalent O(3)Sr5Ta octahedra, edges with two equivalent O(4)Sr5Ta octahedra, edges with four equivalent O(2)Sr5Co octahedra, faces with two equivalent O(7)Sr4Co2 octahedra, and faces with two equivalent O(8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 16-55°. In the second O site, O(2) is bonded to one Sr(4), two equivalent Sr(5), two equivalent Sr(6), and one Co(2) atom to form distorted OSr5Co octahedra that share corners with four equivalent O(7)Sr4Co2 octahedra, corners with four equivalent O(8)Sr4Co2 octahedra, corners with four equivalent O(2)Sr5Co octahedra, edges with two equivalent O(3)Sr5Ta octahedra, edges with two equivalent O(4)Sr5Ta octahedra, edges with four equivalent O(1)Sr5Co octahedra, faces with two equivalent O(7)Sr4Co2 octahedra, and faces with two equivalent O(8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 12-56°. In the third O site, O(3) is bonded to one Sr(5), two equivalent Sr(3), two equivalent Sr(4), and one Ta(1) atom to form OSr5Ta octahedra that share corners with two equivalent O(7)Sr4Co2 octahedra, corners with two equivalent O(8)Sr4Co2 octahedra, corners with four equivalent O(3)Sr5Ta octahedra, edges with two equivalent O(1)Sr5Co octahedra, edges with two equivalent O(2)Sr5Co octahedra, and edges with four equivalent O(4)Sr5Ta octahedra. The corner-sharing octahedral tilt angles range from 0-48°. In the fourth O site, O(4) is bonded to one Sr(6), two equivalent Sr(3), two equivalent Sr(4), and one Ta(2) atom to form OSr5Ta octahedra that share corners with two equivalent O(7)Sr4Co2 octahedra, corners with two equivalent O(8)Sr4Co2 octahedra, corners with four equivalent O(4)Sr5Ta octahedra, edges with two equivalent O(1)Sr5Co octahedra, edges with two equivalent O(2)Sr5Co octahedra, and edges with four equivalent O(3)Sr5Ta octahedra. The corner-sharing octahedral tilt angles range from 1-48°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(1), and one Co(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(2), and one Co(1) atom. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(2), one Sr(5), one Sr(6), one Co(1), and one Co(2) atom to form distorted OSr4Co2 octahedra that share  a cornercorner with one O(3)Sr5Ta octahedra,  a cornercorner with one O(4)Sr5Ta octahedra, corners with two equivalent O(7)Sr4Co2 octahedra, corners with two equivalent O(1)Sr5Co octahedra, corners with two equivalent O(2)Sr5Co octahedra, edges with two equivalent O(7)Sr4Co2 octahedra,  a faceface with one O(1)Sr5Co octahedra,  a faceface with one O(2)Sr5Co octahedra, and faces with four equivalent O(8)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 7-56°. In the eighth O site, O(8) is bonded to one Sr(1), one Sr(2), one Sr(5), one Sr(6), one Co(1), and one Co(2) atom to form distorted OSr4Co2 octahedra that share  a cornercorner with one O(3)Sr5Ta octahedra,  a cornercorner with one O(4)Sr5Ta octahedra, corners with two equivalent O(8)Sr4Co2 octahedra, corners with two equivalent O(1)Sr5Co octahedra, corners with two equivalent O(2)Sr5Co octahedra, edges with two equivalent O(8)Sr4Co2 octahedra,  a faceface with one O(1)Sr5Co octahedra,  a faceface with one O(2)Sr5Co octahedra, and faces with four equivalent O(7)Sr4Co2 octahedra. The corner-sharing octahedral tilt angles range from 7-55°. In the ninth O site, O(9) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), one Ta(1), and one Ta(2) atom. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), one Ta(1), and one Ta(2) atom. In the eleventh O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Sr(1), two equivalent Sr(2), one Ta(1), and one Co(2) atom. 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   11.002
_cell_length_c   5.600
_cell_angle_alpha   104.741
_cell_angle_beta   90.052
_cell_angle_gamma   89.990
_symmetry_Int_Tables_number   1
_cell_volume   333.646
_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
  Sr  Sr0  1  0.500  0.963  0.981  1.0
  Sr  Sr1  1  1.000  0.962  0.481  1.0
  Sr  Sr2  1  1.000  0.383  0.691  1.0
  Sr  Sr3  1  0.500  0.387  0.194  1.0
  Sr  Sr4  1  0.500  0.638  0.819  1.0
  Sr  Sr5  1  0.001  0.637  0.319  1.0
  Ta  Ta6  1  0.500  0.194  0.597  1.0
  Ta  Ta7  1  1.000  0.195  0.097  1.0
  Co  Co8  1  0.000  0.786  0.893  1.0
  Co  Co9  1  0.501  0.796  0.398  1.0
  O  O10  1  1.000  0.601  0.800  1.0
  O  O11  1  0.500  0.610  0.305  1.0
  O  O12  1  0.500  0.388  0.694  1.0
  O  O13  1  0.000  0.390  0.195  1.0
  O  O14  1  0.500  0.012  0.506  1.0
  O  O15  1  1.000  0.016  0.008  1.0
  O  O16  1  0.764  0.808  0.669  1.0
  O  O17  1  0.235  0.808  0.139  1.0
  O  O18  1  0.735  0.807  0.167  1.0
  O  O19  1  0.264  0.807  0.639  1.0
  O  O20  1  0.749  0.204  0.852  1.0
  O  O21  1  0.251  0.204  0.352  1.0
  O  O22  1  0.749  0.204  0.352  1.0
  O  O23  1  0.250  0.204  0.852  1.0
[/CIF]
.