The material described by Sr7CaFe4(CoO6)4 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(4), one O(6), two equivalent O(1), two equivalent O(3), two equivalent O(5), and four equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Fe(2)O6 octahedra, and faces with three equivalent Co(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(1), one O(3), two equivalent O(2), two equivalent O(4), two equivalent O(6), and four equivalent O(5) atoms to form SrO12 cuboctahedra that share corners with four equivalent Ca(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Fe(2)O6 octahedra, and faces with three equivalent Co(1)O6 octahedra. In the third Sr site, Sr(3) is bonded to three equivalent O(4), three equivalent O(6), and six equivalent O(5) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(2)O12 cuboctahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Fe(2)O6 octahedra, and faces with three equivalent Co(1)O6 octahedra. Ca(1) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Sr(2)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Fe(2)O6 octahedra, and faces with three equivalent Co(1)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Fe(2)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Co site, Co(2) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), two equivalent Sr(1), one Ca(1), one Fe(1), and one Fe(2) atom to form distorted OSr3CaFe2 octahedra that share corners with two equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(6)Sr4Co2 octahedra, corners with four equivalent O(5)Sr4FeCo octahedra, faces with two equivalent O(1)Sr3CaFe2 octahedra, faces with two equivalent O(4)Sr4Fe2 octahedra, and faces with two equivalent O(5)Sr4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(2), two equivalent Sr(1), one Ca(1), one Fe(2), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Sr(2), two equivalent Sr(1), one Ca(1), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Fe(1), and one Fe(2) atom to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(1)Sr3CaFe2 octahedra, corners with four equivalent O(5)Sr4FeCo octahedra, corners with eight equivalent O(6)Sr4Co2 octahedra, edges with four equivalent O(5)Sr4FeCo octahedra, faces with two equivalent O(1)Sr3CaFe2 octahedra, faces with two equivalent O(4)Sr4Fe2 octahedra, and faces with two equivalent O(5)Sr4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Fe(2), and one Co(1) atom to form distorted OSr4FeCo octahedra that share corners with two equivalent O(1)Sr3CaFe2 octahedra, corners with two equivalent O(6)Sr4Co2 octahedra, corners with two equivalent O(4)Sr4Fe2 octahedra, corners with eight equivalent O(5)Sr4FeCo octahedra, edges with two equivalent O(6)Sr4Co2 octahedra, edges with two equivalent O(4)Sr4Fe2 octahedra,  a faceface with one O(1)Sr3CaFe2 octahedra,  a faceface with one O(6)Sr4Co2 octahedra,  a faceface with one O(4)Sr4Fe2 octahedra, and faces with two equivalent O(5)Sr4FeCo octahedra. The corner-sharing octahedral tilt angles range from 1-60°. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Co(1), and one Co(2) atom to form distorted OSr4Co2 octahedra that share corners with four equivalent O(1)Sr3CaFe2 octahedra, corners with four equivalent O(5)Sr4FeCo octahedra, corners with eight equivalent O(4)Sr4Fe2 octahedra, edges with four equivalent O(5)Sr4FeCo octahedra, faces with two equivalent O(6)Sr4Co2 octahedra, and faces with two equivalent O(5)Sr4FeCo octahedra. The corner-sharing octahedral tilt angles range from 1-61°. is represented by the CIF card [CIF]
data_Sr7CaFe4(CoO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.747
_cell_length_b   7.747
_cell_length_c   7.747
_cell_angle_alpha   90.022
_cell_angle_beta   90.022
_cell_angle_gamma   90.022
_symmetry_Int_Tables_number   1
_cell_volume   465.020
_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  0.250  0.250  0.750  1.0
  Sr  Sr1  1  0.750  0.250  0.750  1.0
  Sr  Sr2  1  0.750  0.250  0.250  1.0
  Sr  Sr3  1  0.250  0.750  0.750  1.0
  Sr  Sr4  1  0.750  0.750  0.750  1.0
  Sr  Sr5  1  0.250  0.750  0.250  1.0
  Sr  Sr6  1  0.750  0.750  0.250  1.0
  Ca  Ca7  1  0.249  0.249  0.249  1.0
  Fe  Fe8  1  0.001  0.001  0.001  1.0
  Fe  Fe9  1  0.500  0.001  0.001  1.0
  Fe  Fe10  1  0.001  0.001  0.500  1.0
  Fe  Fe11  1  0.001  0.500  0.001  1.0
  Co  Co12  1  0.499  0.000  0.499  1.0
  Co  Co13  1  0.499  0.499  0.000  1.0
  Co  Co14  1  0.000  0.499  0.499  1.0
  Co  Co15  1  0.499  0.499  0.499  1.0
  O  O16  1  0.002  0.249  0.002  1.0
  O  O17  1  0.498  0.253  0.002  1.0
  O  O18  1  0.002  0.253  0.498  1.0
  O  O19  1  0.498  0.246  0.498  1.0
  O  O20  1  0.000  0.751  0.000  1.0
  O  O21  1  0.500  0.747  0.000  1.0
  O  O22  1  0.000  0.747  0.500  1.0
  O  O23  1  0.499  0.754  0.499  1.0
  O  O24  1  0.000  0.000  0.751  1.0
  O  O25  1  0.500  0.000  0.747  1.0
  O  O26  1  0.002  0.002  0.249  1.0
  O  O27  1  0.498  0.002  0.253  1.0
  O  O28  1  0.000  0.500  0.747  1.0
  O  O29  1  0.499  0.499  0.754  1.0
  O  O30  1  0.002  0.498  0.253  1.0
  O  O31  1  0.498  0.498  0.246  1.0
  O  O32  1  0.249  0.002  0.002  1.0
  O  O33  1  0.751  0.000  0.000  1.0
  O  O34  1  0.253  0.002  0.498  1.0
  O  O35  1  0.747  0.000  0.500  1.0
  O  O36  1  0.253  0.498  0.002  1.0
  O  O37  1  0.747  0.500  0.000  1.0
  O  O38  1  0.246  0.498  0.498  1.0
  O  O39  1  0.754  0.499  0.499  1.0
[/CIF]
.
The material described by Sr7CaFe4(CoO6)4 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(4), one O(6), two equivalent O(1), two equivalent O(3), two equivalent O(5), and four equivalent O(2) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Sr(2)O12 cuboctahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Fe(2)O6 octahedra, and faces with three equivalent Co(1)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(1), one O(3), two equivalent O(2), two equivalent O(4), two equivalent O(6), and four equivalent O(5) atoms to form SrO12 cuboctahedra that share corners with four equivalent Ca(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Fe(2)O6 octahedra, and faces with three equivalent Co(1)O6 octahedra. In the third Sr site, Sr(3) is bonded to three equivalent O(4), three equivalent O(6), and six equivalent O(5) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(2)O12 cuboctahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Fe(2)O6 octahedra, and faces with three equivalent Co(1)O6 octahedra. Ca(1) is bonded to three equivalent O(1), three equivalent O(3), and six equivalent O(2) atoms to form CaO12 cuboctahedra that share corners with twelve equivalent Sr(2)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Co(2)O6 octahedra, faces with three equivalent Fe(2)O6 octahedra, and faces with three equivalent Co(1)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to three equivalent O(1) and three equivalent O(4) atoms to form FeO6 octahedra that share corners with six equivalent Fe(2)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Fe site, Fe(2) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(6), two equivalent O(2), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Co(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Co site, Co(2) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form CoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra, faces with three equivalent Sr(1)O12 cuboctahedra, and faces with three equivalent Sr(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Sr(2), two equivalent Sr(1), one Ca(1), one Fe(1), and one Fe(2) atom to form distorted OSr3CaFe2 octahedra that share corners with two equivalent O(4)Sr4Fe2 octahedra, corners with four equivalent O(6)Sr4Co2 octahedra, corners with four equivalent O(5)Sr4FeCo octahedra, faces with two equivalent O(1)Sr3CaFe2 octahedra, faces with two equivalent O(4)Sr4Fe2 octahedra, and faces with two equivalent O(5)Sr4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(2), two equivalent Sr(1), one Ca(1), one Fe(2), and one Co(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Sr(2), two equivalent Sr(1), one Ca(1), one Co(1), and one Co(2) atom. In the fourth O site, O(4) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Fe(1), and one Fe(2) atom to form distorted OSr4Fe2 octahedra that share corners with two equivalent O(1)Sr3CaFe2 octahedra, corners with four equivalent O(5)Sr4FeCo octahedra, corners with eight equivalent O(6)Sr4Co2 octahedra, edges with four equivalent O(5)Sr4FeCo octahedra, faces with two equivalent O(1)Sr3CaFe2 octahedra, faces with two equivalent O(4)Sr4Fe2 octahedra, and faces with two equivalent O(5)Sr4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Fe(2), and one Co(1) atom to form distorted OSr4FeCo octahedra that share corners with two equivalent O(1)Sr3CaFe2 octahedra, corners with two equivalent O(6)Sr4Co2 octahedra, corners with two equivalent O(4)Sr4Fe2 octahedra, corners with eight equivalent O(5)Sr4FeCo octahedra, edges with two equivalent O(6)Sr4Co2 octahedra, edges with two equivalent O(4)Sr4Fe2 octahedra,  a faceface with one O(1)Sr3CaFe2 octahedra,  a faceface with one O(6)Sr4Co2 octahedra,  a faceface with one O(4)Sr4Fe2 octahedra, and faces with two equivalent O(5)Sr4FeCo octahedra. The corner-sharing octahedral tilt angles range from 1-60°. In the sixth O site, O(6) is bonded to one Sr(1), one Sr(3), two equivalent Sr(2), one Co(1), and one Co(2) atom to form distorted OSr4Co2 octahedra that share corners with four equivalent O(1)Sr3CaFe2 octahedra, corners with four equivalent O(5)Sr4FeCo octahedra, corners with eight equivalent O(4)Sr4Fe2 octahedra, edges with four equivalent O(5)Sr4FeCo octahedra, faces with two equivalent O(6)Sr4Co2 octahedra, and faces with two equivalent O(5)Sr4FeCo octahedra. The corner-sharing octahedral tilt angles range from 1-61°. is represented by the CIF card [CIF]
data_Sr7CaFe4(CoO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.747
_cell_length_b   7.747
_cell_length_c   7.747
_cell_angle_alpha   90.022
_cell_angle_beta   90.022
_cell_angle_gamma   90.022
_symmetry_Int_Tables_number   1
_cell_volume   465.020
_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  0.250  0.250  0.750  1.0
  Sr  Sr1  1  0.750  0.250  0.750  1.0
  Sr  Sr2  1  0.750  0.250  0.250  1.0
  Sr  Sr3  1  0.250  0.750  0.750  1.0
  Sr  Sr4  1  0.750  0.750  0.750  1.0
  Sr  Sr5  1  0.250  0.750  0.250  1.0
  Sr  Sr6  1  0.750  0.750  0.250  1.0
  Ca  Ca7  1  0.249  0.249  0.249  1.0
  Fe  Fe8  1  0.001  0.001  0.001  1.0
  Fe  Fe9  1  0.500  0.001  0.001  1.0
  Fe  Fe10  1  0.001  0.001  0.500  1.0
  Fe  Fe11  1  0.001  0.500  0.001  1.0
  Co  Co12  1  0.499  0.000  0.499  1.0
  Co  Co13  1  0.499  0.499  0.000  1.0
  Co  Co14  1  0.000  0.499  0.499  1.0
  Co  Co15  1  0.499  0.499  0.499  1.0
  O  O16  1  0.002  0.249  0.002  1.0
  O  O17  1  0.498  0.253  0.002  1.0
  O  O18  1  0.002  0.253  0.498  1.0
  O  O19  1  0.498  0.246  0.498  1.0
  O  O20  1  0.000  0.751  0.000  1.0
  O  O21  1  0.500  0.747  0.000  1.0
  O  O22  1  0.000  0.747  0.500  1.0
  O  O23  1  0.499  0.754  0.499  1.0
  O  O24  1  0.000  0.000  0.751  1.0
  O  O25  1  0.500  0.000  0.747  1.0
  O  O26  1  0.002  0.002  0.249  1.0
  O  O27  1  0.498  0.002  0.253  1.0
  O  O28  1  0.000  0.500  0.747  1.0
  O  O29  1  0.499  0.499  0.754  1.0
  O  O30  1  0.002  0.498  0.253  1.0
  O  O31  1  0.498  0.498  0.246  1.0
  O  O32  1  0.249  0.002  0.002  1.0
  O  O33  1  0.751  0.000  0.000  1.0
  O  O34  1  0.253  0.002  0.498  1.0
  O  O35  1  0.747  0.000  0.500  1.0
  O  O36  1  0.253  0.498  0.002  1.0
  O  O37  1  0.747  0.500  0.000  1.0
  O  O38  1  0.246  0.498  0.498  1.0
  O  O39  1  0.754  0.499  0.499  1.0
[/CIF]
.