data_Sr3Ca5Fe5(CoO8)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.65
_cell_length_b   7.71
_cell_length_c   7.72
_cell_angle_alpha   90.01
_cell_angle_beta   90.02
_cell_angle_gamma   90.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Ca5Fe5(CoO8)3
_chemical_formula_sum   'Sr3 Ca5 Fe5 Co3 O24'
_cell_volume   455.45
_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  0.72  0.77  0.95  1.0
  Sr  Sr1  1  0.71  0.77  0.77  1.0
  Sr  Sr2  1  0.92  0.77  0.77  1.0
  Ca  Ca3  1  0.71  0.95  0.95  1.0
  Ca  Ca4  1  0.7  0.95  0.77  1.0
  Ca  Ca5  1  0.93  0.77  0.96  1.0
  Ca  Ca6  1  0.93  0.95  0.95  1.0
  Ca  Ca7  1  0.93  0.95  0.77  1.0
  Fe  Fe8  1  0.01  0.02  0.01  1.0
  Fe  Fe9  1  0.0  0.02  0.86  1.0
  Fe  Fe10  1  0.0  0.84  0.01  1.0
  Fe  Fe11  1  0.82  0.01  0.01  1.0
  Fe  Fe12  1  0.82  0.84  0.01  1.0
  Co  Co13  1  0.0  0.84  0.86  1.0
  Co  Co14  1  0.81  0.02  0.85  1.0
  Co  Co15  1  0.81  0.84  0.86  1.0
  O  O16  1  0.74  0.04  0.01  1.0
  O  O17  1  0.67  0.04  0.85  1.0
  O  O18  1  0.73  0.81  0.01  1.0
  O  O19  1  0.68  0.8  0.85  1.0
  O  O20  1  0.91  0.03  0.02  1.0
  O  O21  1  0.97  0.04  0.85  1.0
  O  O22  1  0.92  0.82  0.02  1.0
  O  O23  1  0.96  0.82  0.84  1.0
  O  O24  1  0.02  0.79  0.02  1.0
  O  O25  1  0.03  0.75  0.84  1.0
  O  O26  1  0.0  0.93  0.01  1.0
  O  O27  1  0.0  0.97  0.85  1.0
  O  O28  1  0.8  0.78  0.02  1.0
  O  O29  1  0.8  0.81  0.82  1.0
  O  O30  1  0.81  0.93  0.01  1.0
  O  O31  1  0.81  0.9  0.85  1.0
  O  O32  1  0.02  0.04  0.94  1.0
  O  O33  1  0.0  0.05  0.79  1.0
  O  O34  1  0.03  0.82  0.98  1.0
  O  O35  1  0.0  0.8  0.74  1.0
  O  O36  1  0.8  0.04  0.95  1.0
  O  O37  1  0.82  0.06  0.77  1.0
  O  O38  1  0.8  0.81  0.93  1.0
  O  O39  1  0.81  0.79  0.79  1.0

data_Sr3Ca5Fe5(CoO8)3
_symmetry_space_group_name_H-M   P1
_cell_length_a   7.65
_cell_length_b   7.71
_cell_length_c   7.72
_cell_angle_alpha   90.01
_cell_angle_beta   90.02
_cell_angle_gamma   90.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr3Ca5Fe5(CoO8)3
_chemical_formula_sum   'Sr3 Ca5 Fe5 Co3 O24'
_cell_volume   455.45
_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  0.71  0.77  0.77  1.0
  Sr  Sr1  1  0.72  0.77  0.95  1.0
  Sr  Sr2  1  0.92  0.77  0.77  1.0
  Ca  Ca3  1  0.7  0.95  0.77  1.0
  Ca  Ca4  1  0.71  0.95  0.95  1.0
  Ca  Ca5  1  0.93  0.95  0.95  1.0
  Ca  Ca6  1  0.93  0.95  0.77  1.0
  Ca  Ca7  1  0.93  0.77  0.96  1.0
  Fe  Fe8  1  0.0  0.84  0.01  1.0
  Fe  Fe9  1  0.0  0.02  0.86  1.0
  Fe  Fe10  1  0.01  0.02  0.01  1.0
  Fe  Fe11  1  0.82  0.84  0.01  1.0
  Fe  Fe12  1  0.82  0.01  0.01  1.0
  Co  Co13  1  0.0  0.84  0.86  1.0
  Co  Co14  1  0.81  0.84  0.86  1.0
  Co  Co15  1  0.81  0.02  0.85  1.0
  O  O16  1  0.0  0.05  0.79  1.0
  O  O17  1  0.0  0.97  0.85  1.0
  O  O18  1  0.0  0.93  0.01  1.0
  O  O19  1  0.0  0.8  0.74  1.0
  O  O20  1  0.02  0.04  0.94  1.0
  O  O21  1  0.02  0.79  0.02  1.0
  O  O22  1  0.03  0.82  0.98  1.0
  O  O23  1  0.03  0.75  0.84  1.0
  O  O24  1  0.67  0.04  0.85  1.0
  O  O25  1  0.68  0.8  0.85  1.0
  O  O26  1  0.73  0.81  0.01  1.0
  O  O27  1  0.74  0.04  0.01  1.0
  O  O28  1  0.8  0.81  0.82  1.0
  O  O29  1  0.8  0.78  0.02  1.0
  O  O30  1  0.8  0.81  0.93  1.0
  O  O31  1  0.8  0.04  0.95  1.0
  O  O32  1  0.81  0.9  0.85  1.0
  O  O33  1  0.81  0.79  0.79  1.0
  O  O34  1  0.81  0.93  0.01  1.0
  O  O35  1  0.82  0.06  0.77  1.0
  O  O36  1  0.91  0.03  0.02  1.0
  O  O37  1  0.92  0.82  0.02  1.0
  O  O38  1  0.96  0.82  0.84  1.0
  O  O39  1  0.97  0.04  0.85  1.0

Sr Sr Sr Ca Ca Ca Ca Ca Fe Fe Fe Fe Fe Co Co Co O O O O O O O O O O O O O O O O O O O O O O O O
Sr3Ca5Fe5(CoO8)3 is alpha Po structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sr3Ca5Fe5(CoO8)3 cluster. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted single-bond geometry to one O(23), one O(3), and one O(4) atom. The Sr(1)-O(23) bond length is 0.73 Å. The Sr(1)-O(3) bond length is 0.52 Å. The Sr(1)-O(4) bond length is 0.84 Å. In the second Sr site, Sr(2) is bonded in a 3-coordinate geometry to one O(14), one O(24), and one O(4) atom. The Sr(2)-O(14) bond length is 0.82 Å. The Sr(2)-O(24) bond length is 0.78 Å. The Sr(2)-O(4) bond length is 0.74 Å. In the third Sr site, Sr(3) is bonded in a distorted single-bond geometry to one O(20), one O(24), and one O(8) atom. The Sr(3)-O(20) bond length is 0.70 Å. The Sr(3)-O(24) bond length is 0.88 Å. The Sr(3)-O(8) bond length is 0.71 Å. There are five inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 1-coordinate geometry to one O(1), one O(15), and one O(2) atom. The Ca(1)-O(1) bond length is 0.87 Å. The Ca(1)-O(15) bond length is 0.93 Å. The Ca(1)-O(2) bond length is 1.09 Å. In the second Ca site, Ca(2) is bonded in a single-bond geometry to one O(16) and one O(2) atom. The Ca(2)-O(16) bond length is 1.08 Å. The Ca(2)-O(2) bond length is 1.01 Å. In the third Ca site, Ca(3) is bonded in a 1-coordinate geometry to one O(7) atom. The Ca(3)-O(7) bond length is 0.68 Å. In the fourth Ca site, Ca(4) is bonded in a 2-coordinate geometry to one Fe(1), one O(11), one O(12), one O(15), one O(17), one O(5), and one O(7) atom. The Ca(4)-Fe(1) bond length is 0.87 Å. The Ca(4)-O(11) bond length is 0.70 Å. The Ca(4)-O(12) bond length is 0.97 Å. The Ca(4)-O(15) bond length is 1.04 Å. The Ca(4)-O(17) bond length is 0.96 Å. The Ca(4)-O(5) bond length is 0.83 Å. The Ca(4)-O(7) bond length is 1.09 Å. In the fifth Ca site, Ca(5) is bonded in a distorted single-bond geometry to one O(12), one O(18), and one O(20) atom. The Ca(5)-O(12) bond length is 0.86 Å. The Ca(5)-O(18) bond length is 0.95 Å. The Ca(5)-O(20) bond length is 1.24 Å. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one Ca(4), one O(11), one O(17), and one O(5) atom. The Fe(1)-O(11) bond length is 0.69 Å. The Fe(1)-O(17) bond length is 0.56 Å. The Fe(1)-O(5) bond length is 0.75 Å. In the second Fe site, Fe(2) is bonded in a single-bond geometry to one O(12), one O(17), one O(18), and one O(6) atom. The Fe(2)-O(12) bond length is 0.42 Å. The Fe(2)-O(17) bond length is 0.65 Å. The Fe(2)-O(18) bond length is 0.60 Å. The Fe(2)-O(6) bond length is 0.29 Å. In the third Fe site, Fe(3) is bonded in a distorted single-bond geometry to one O(19), one O(7), and one O(9) atom. The Fe(3)-O(19) bond length is 0.34 Å. The Fe(3)-O(7) bond length is 0.69 Å. The Fe(3)-O(9) bond length is 0.48 Å. In the fourth Fe site, Fe(4) is bonded in a distorted single-bond geometry to one O(1), one O(15), and one O(21) atom. The Fe(4)-O(1) bond length is 0.66 Å. The Fe(4)-O(15) bond length is 0.65 Å. The Fe(4)-O(21) bond length is 0.48 Å. In the fifth Fe site, Fe(5) is bonded in a 5-coordinate geometry to one O(13), one O(15), one O(23), one O(3), and one O(7) atom. The Fe(5)-O(13) bond length is 0.50 Å. The Fe(5)-O(15) bond length is 0.70 Å. The Fe(5)-O(23) bond length is 0.63 Å. The Fe(5)-O(3) bond length is 0.72 Å. The Fe(5)-O(7) bond length is 0.78 Å. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one O(10), one O(20), and one O(8) atom. The Co(1)-O(10) bond length is 0.73 Å. The Co(1)-O(20) bond length is 0.92 Å. The Co(1)-O(8) bond length is 0.42 Å. In the second Co site, Co(2) is bonded in a 3-coordinate geometry to one O(16), one O(2), one O(21), and one O(22) atom. The Co(2)-O(16) bond length is 0.92 Å. The Co(2)-O(2) bond length is 1.12 Å. The Co(2)-O(21) bond length is 0.78 Å. The Co(2)-O(22) bond length is 0.71 Å. In the third Co site, Co(3) is bonded in a 3-coordinate geometry to one O(14), one O(16), and one O(23) atom. The Co(3)-O(14) bond length is 0.35 Å. The Co(3)-O(16) bond length is 0.50 Å. The Co(3)-O(23) bond length is 0.62 Å. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Ca(1) and one Fe(4) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one Ca(2), and one Co(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Sr(1) and one Fe(5) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Sr(1) and one Sr(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Ca(4) and one Fe(1) atom. In the sixth O site, O(6) is bonded in a single-bond geometry to one Fe(2) and one O(18) atom. The O(6)-O(18) bond length is 0.54 Å. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Ca(3), one Ca(4), one Fe(3), and one Fe(5) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Sr(3), one Co(1), one O(10), and one O(20) atom. The O(8)-O(10) bond length is 0.76 Å. The O(8)-O(20) bond length is 0.87 Å. In the ninth O site, O(9) is bonded in a single-bond geometry to one Fe(3) atom. In the tenth O site, O(10) is bonded in a 2-coordinate geometry to one Co(1) and one O(8) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Ca(4) and one Fe(1) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Ca(4), one Ca(5), and one Fe(2) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one Fe(5) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Sr(2), one Co(3), and one O(24) atom. The O(14)-O(24) bond length is 0.31 Å. In the fifteenth O site, O(15) is bonded in a see-saw-like geometry to one Ca(1), one Ca(4), one Fe(4), and one Fe(5) atom. In the sixteenth O site, O(16) is bonded in a distorted single-bond geometry to one Ca(2), one Co(2), and one Co(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Ca(4), one Fe(1), and one Fe(2) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Ca(5), one Fe(2), and one O(6) atom. In the nineteenth O site, O(19) is bonded in a single-bond geometry to one Fe(3) atom. In the twentieth O site, O(20) is bonded in a 4-coordinate geometry to one Sr(3), one Ca(5), one Co(1), and one O(8) atom. In the twenty-first O site, O(21) is bonded in a distorted single-bond geometry to one Fe(4) and one Co(2) atom. In the twenty-second O site, O(22) is bonded in a single-bond geometry to one Co(2) atom. In the twenty-third O site, O(23) is bonded in a 3-coordinate geometry to one Sr(1), one Fe(5), and one Co(3) atom. In the twenty-fourth O site, O(24) is bonded in a 3-coordinate geometry to one Sr(2), one Sr(3), and one O(14) atom.