data_Sr10CaY4(CoO3)10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.68
_cell_length_b   11.68
_cell_length_c   11.68
_cell_angle_alpha   137.15
_cell_angle_beta   137.15
_cell_angle_gamma   62.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr10CaY4(CoO3)10
_chemical_formula_sum   'Sr10 Ca1 Y4 Co10 O30'
_cell_volume   728.46
_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  0.0  0.0  0.57  1.0
  Sr  Sr1  1  0.61  0.35  0.67  1.0
  Sr  Sr2  1  0.08  0.65  0.67  1.0
  Sr  Sr3  1  0.18  0.61  0.67  1.0
  Sr  Sr4  1  0.65  0.92  0.67  1.0
  Sr  Sr5  1  0.61  0.35  0.33  1.0
  Sr  Sr6  1  0.08  0.65  0.33  1.0
  Sr  Sr7  1  0.18  0.61  0.33  1.0
  Sr  Sr8  1  0.65  0.92  0.33  1.0
  Sr  Sr9  1  0.0  0.0  0.43  1.0
  Ca  Ca10  1  0.0  0.0  0.0  1.0
  Y  Y11  1  0.72  0.39  0.0  1.0
  Y  Y12  1  0.13  0.55  0.0  1.0
  Y  Y13  1  0.14  0.72  0.0  1.0
  Y  Y14  1  0.55  0.87  0.0  1.0
  Co  Co15  1  0.0  0.0  0.95  1.0
  Co  Co16  1  0.7  0.4  0.17  1.0
  Co  Co17  1  0.4  0.3  0.17  1.0
  Co  Co18  1  0.86  0.97  0.17  1.0
  Co  Co19  1  0.56  0.86  0.17  1.0
  Co  Co20  1  0.7  0.4  0.84  1.0
  Co  Co21  1  0.4  0.3  0.84  1.0
  Co  Co22  1  0.86  0.97  0.83  1.0
  Co  Co23  1  0.56  0.86  0.83  1.0
  Co  Co24  1  0.0  0.0  0.05  1.0
  O  O25  1  0.57  0.09  0.56  1.0
  O  O26  1  0.0  0.27  0.55  1.0
  O  O27  1  0.7  0.18  0.57  1.0
  O  O28  1  0.4  0.52  0.49  1.0
  O  O29  1  0.86  0.74  0.49  1.0
  O  O30  1  0.44  0.57  0.56  1.0
  O  O31  1  0.82  0.7  0.57  1.0
  O  O32  1  0.79  0.86  0.49  1.0
  O  O33  1  0.27  0.0  0.55  1.0
  O  O34  1  0.48  0.4  0.49  1.0
  O  O35  1  0.4  0.52  0.51  1.0
  O  O36  1  0.86  0.74  0.51  1.0
  O  O37  1  0.57  0.09  0.44  1.0
  O  O38  1  0.27  0.0  0.45  1.0
  O  O39  1  0.7  0.18  0.44  1.0
  O  O40  1  0.79  0.86  0.51  1.0
  O  O41  1  0.0  0.27  0.45  1.0
  O  O42  1  0.48  0.4  0.51  1.0
  O  O43  1  0.44  0.57  0.44  1.0
  O  O44  1  0.82  0.7  0.44  1.0
  O  O45  1  0.0  0.0  0.17  1.0
  O  O46  1  0.72  0.41  0.09  1.0
  O  O47  1  0.41  0.28  0.09  1.0
  O  O48  1  0.12  0.72  0.09  1.0
  O  O49  1  0.28  0.12  0.09  1.0
  O  O50  1  0.98  0.14  0.91  1.0
  O  O51  1  0.14  0.55  0.91  1.0
  O  O52  1  0.86  0.98  0.91  1.0
  O  O53  1  0.55  0.86  0.91  1.0
  O  O54  1  0.0  0.0  0.84  1.0

data_Sr10CaY4(CoO3)10
_symmetry_space_group_name_H-M   P1
_cell_length_a   8.53
_cell_length_b   8.53
_cell_length_c   11.68
_cell_angle_alpha   111.42
_cell_angle_beta   111.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr10CaY4(CoO3)10
_chemical_formula_sum   'Sr10 Ca1 Y4 Co10 O30'
_cell_volume   728.46
_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  0.02  0.59  0.93  1.0
  Sr  Sr1  1  0.05  0.48  0.87  1.0
  Sr  Sr2  1  0.32  0.05  0.71  1.0
  Sr  Sr3  1  0.42  0.68  0.76  1.0
  Sr  Sr4  1  0.43  0.43  0.43  1.0
  Sr  Sr5  1  0.57  0.57  0.57  1.0
  Sr  Sr6  1  0.68  0.25  0.6  1.0
  Sr  Sr7  1  0.72  0.15  0.53  1.0
  Sr  Sr8  1  0.75  0.02  0.1  1.0
  Sr  Sr9  1  0.98  0.72  0.37  1.0
  Ca  Ca10  1  0.0  0.0  0.0  1.0
  Y  Y11  1  0.13  0.45  0.58  1.0
  Y  Y12  1  0.28  0.86  0.14  1.0
  Y  Y13  1  0.45  0.88  0.33  1.0
  Y  Y14  1  0.61  0.28  0.89  1.0
  Co  Co15  1  0.05  0.05  0.05  1.0
  Co  Co16  1  0.2  0.3  0.33  1.0
  Co  Co17  1  0.3  0.6  0.74  1.0
  Co  Co18  1  0.43  0.13  0.73  1.0
  Co  Co19  1  0.54  0.43  0.14  1.0
  Co  Co20  1  0.77  0.47  0.06  1.0
  Co  Co21  1  0.86  0.97  1.0  1.0
  Co  Co22  1  0.87  0.77  0.47  1.0
  Co  Co23  1  0.95  0.95  0.95  1.0
  Co  Co24  1  0.97  0.27  0.41  1.0
  O  O25  1  0.05  0.36  0.5  1.0
  O  O26  1  0.09  0.02  0.61  1.0
  O  O27  1  0.11  0.04  0.63  1.0
  O  O28  1  0.17  0.17  0.17  1.0
  O  O29  1  0.18  0.45  0.18  1.0
  O  O30  1  0.26  0.74  0.57  1.0
  O  O31  1  0.29  0.55  0.29  1.0
  O  O32  1  0.34  0.86  0.77  1.0
  O  O33  1  0.36  0.77  0.22  1.0
  O  O34  1  0.37  0.97  0.25  1.0
  O  O35  1  0.39  0.87  0.7  1.0
  O  O36  1  0.45  0.18  0.18  1.0
  O  O37  1  0.47  0.99  0.9  1.0
  O  O38  1  0.55  0.29  0.29  1.0
  O  O39  1  0.63  0.7  0.83  1.0
  O  O40  1  0.65  0.72  0.85  1.0
  O  O41  1  0.68  0.37  0.97  1.0
  O  O42  1  0.74  0.61  0.92  1.0
  O  O43  1  0.75  0.63  0.88  1.0
  O  O44  1  0.77  0.65  0.9  1.0
  O  O45  1  0.77  0.93  0.79  1.0
  O  O46  1  0.81  0.68  0.4  1.0
  O  O47  1  0.84  0.84  0.84  1.0
  O  O48  1  0.86  0.99  0.42  1.0
  O  O49  1  0.87  0.74  0.05  1.0
  O  O50  1  0.93  0.05  0.07  1.0
  O  O51  1  0.97  0.81  0.68  1.0
  O  O52  1  0.97  0.09  0.57  1.0
  O  O53  1  0.99  0.11  0.59  1.0
  O  O54  1  0.99  0.12  0.55  1.0

Sr Sr Sr Sr Sr Sr Sr Sr Sr Sr Ca Y Y Y Y Co Co Co Co Co Co Co 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 O O O O O O
Sr10CaY4(CoO3)10 crystallizes in the triclinic P1 space group. There are ten inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to one Sr(10) and one O(8) atom. The Sr(1)-Sr(10) bond length is 1.60 Å. The Sr(1)-O(8) bond length is 2.72 Å. In the second Sr site, Sr(2) is bonded in a 3-coordinate geometry to one Co(6), one O(18), and one O(3) atom. The Sr(2)-Co(6) bond length is 1.06 Å. The Sr(2)-O(18) bond length is 1.65 Å. The Sr(2)-O(3) bond length is 1.66 Å. In the third Sr site, Sr(3) is bonded in a 3-coordinate geometry to one Sr(4), one O(12), and one O(7) atom. The Sr(3)-Sr(4) bond length is 1.08 Å. The Sr(3)-O(12) bond length is 2.12 Å. The Sr(3)-O(7) bond length is 2.21 Å. In the fourth Sr site, Sr(4) is bonded in a distorted single-bond geometry to one Sr(3) atom. In the fifth Sr site, Sr(5) is bonded in a 4-coordinate geometry to one Co(8), one O(1), one O(14), one O(28), and one O(7) atom. The Sr(5)-Co(8) bond length is 1.70 Å. The Sr(5)-O(1) bond length is 2.59 Å. The Sr(5)-O(14) bond length is 3.24 Å. The Sr(5)-O(28) bond length is 1.70 Å. The Sr(5)-O(7) bond length is 2.51 Å. In the sixth Sr site, Sr(6) is bonded in a 4-coordinate geometry to one Co(3), one O(15), one O(19), and one O(23) atom. The Sr(6)-Co(3) bond length is 1.70 Å. The Sr(6)-O(15) bond length is 2.59 Å. The Sr(6)-O(19) bond length is 2.51 Å. The Sr(6)-O(23) bond length is 1.70 Å. In the seventh Sr site, Sr(7) is bonded in a distorted single-bond geometry to one Sr(8) atom. The Sr(7)-Sr(8) bond length is 1.08 Å. In the eighth Sr site, Sr(8) is bonded in a 3-coordinate geometry to one Sr(7), one O(19), and one O(4) atom. The Sr(8)-O(19) bond length is 2.21 Å. The Sr(8)-O(4) bond length is 2.12 Å. In the ninth Sr site, Sr(9) is bonded in a 3-coordinate geometry to one Co(5), one O(13), and one O(8) atom. The Sr(9)-Co(5) bond length is 1.06 Å. The Sr(9)-O(13) bond length is 1.66 Å. The Sr(9)-O(8) bond length is 1.65 Å. In the tenth Sr site, Sr(10) is bonded in a 4-coordinate geometry to one Sr(1), one Co(4), one O(2), and one O(9) atom. The Sr(10)-Co(4) bond length is 2.02 Å. The Sr(10)-O(2) bond length is 2.30 Å. The Sr(10)-O(9) bond length is 2.30 Å. Ca(1) is bonded in a 4-coordinate geometry to one Co(1), one Co(10), one Co(8), and one O(28) atom. The Ca(1)-Co(1) bond length is 0.57 Å. The Ca(1)-Co(10) bond length is 0.63 Å. The Ca(1)-Co(8) bond length is 1.20 Å. The Ca(1)-O(28) bond length is 1.17 Å. There are four inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted single-bond geometry to one Co(6), one O(1), and one O(22) atom. The Y(1)-Co(6) bond length is 1.87 Å. The Y(1)-O(1) bond length is 2.80 Å. The Y(1)-O(22) bond length is 0.96 Å. In the second Y site, Y(2) is bonded in a 2-coordinate geometry to one O(24) and one O(27) atom. The Y(2)-O(24) bond length is 1.38 Å. The Y(2)-O(27) bond length is 1.22 Å. In the third Y site, Y(3) is bonded in a 2-coordinate geometry to one O(14), one O(24), and one O(27) atom. The Y(3)-O(14) bond length is 2.89 Å. The Y(3)-O(24) bond length is 1.22 Å. The Y(3)-O(27) bond length is 1.38 Å. In the fourth Y site, Y(4) is bonded in a distorted single-bond geometry to one Co(5), one O(15), and one O(29) atom. The Y(4)-Co(5) bond length is 1.87 Å. The Y(4)-O(15) bond length is 2.80 Å. The Y(4)-O(29) bond length is 0.96 Å. There are ten inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted linear geometry to one Ca(1) and one O(30) atom. The Co(1)-O(30) bond length is 1.35 Å. In the second Co site, Co(2) is bonded in a single-bond geometry to one O(22) and one O(7) atom. The Co(2)-O(22) bond length is 1.09 Å. The Co(2)-O(7) bond length is 2.62 Å. In the third Co site, Co(3) is bonded in a distorted single-bond geometry to one Sr(6), one O(19), one O(23), and one O(25) atom. The Co(3)-O(19) bond length is 2.21 Å. The Co(3)-O(23) bond length is 0.90 Å. The Co(3)-O(25) bond length is 2.17 Å. In the fourth Co site, Co(4) is bonded in a 2-coordinate geometry to one Sr(10), one O(17), and one O(21) atom. The Co(4)-O(17) bond length is 2.46 Å. The Co(4)-O(21) bond length is 1.74 Å. In the fifth Co site, Co(5) is bonded in a 2-coordinate geometry to one Sr(9) and one Y(4) atom. In the sixth Co site, Co(6) is bonded in a 2-coordinate geometry to one Sr(2) and one Y(1) atom. In the seventh Co site, Co(7) is bonded in a 3-coordinate geometry to one O(14), one O(22), and one O(9) atom. The Co(7)-O(14) bond length is 2.56 Å. The Co(7)-O(22) bond length is 2.60 Å. The Co(7)-O(9) bond length is 2.46 Å. In the eighth Co site, Co(8) is bonded in a single-bond geometry to one Sr(5), one Ca(1), one O(28), and one O(7) atom. The Co(8)-O(28) bond length is 0.90 Å. The Co(8)-O(7) bond length is 2.21 Å. In the ninth Co site, Co(9) is bonded in a single-bond geometry to one O(19) and one O(29) atom. The Co(9)-O(19) bond length is 2.62 Å. The Co(9)-O(29) bond length is 1.09 Å. In the tenth Co site, Co(10) is bonded in a trigonal non-coplanar geometry to one Ca(1), one O(21), and one O(28) atom. The Co(10)-O(21) bond length is 1.35 Å. The Co(10)-O(28) bond length is 1.16 Å. There are thirty inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Sr(5), one Y(1), and one O(13) atom. The O(1)-O(13) bond length is 1.50 Å. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Sr(10) and one O(17) atom. The O(2)-O(17) bond length is 1.22 Å. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Sr(2), one O(13), and one O(15) atom. The O(3)-O(13) bond length is 1.12 Å. The O(3)-O(15) bond length is 1.50 Å. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to one Sr(8), one O(11), one O(19), and one O(6) atom. The O(4)-O(11) bond length is 0.24 Å. The O(4)-O(19) bond length is 1.49 Å. The O(4)-O(6) bond length is 0.46 Å. In the fifth O site, O(5) is bonded in a single-bond geometry to one O(12) atom. The O(5)-O(12) bond length is 0.24 Å. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one O(19) and one O(4) atom. The O(6)-O(19) bond length is 1.50 Å. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Sr(3), one Sr(5), one Co(2), one Co(8), one O(12), and one O(20) atom. The O(7)-O(12) bond length is 1.49 Å. The O(7)-O(20) bond length is 1.50 Å. In the eighth O site, O(8) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(9), and one O(16) atom. The O(8)-O(16) bond length is 0.24 Å. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Sr(10), one Co(7), and one O(14) atom. The O(9)-O(14) bond length is 1.22 Å. In the tenth O site, O(10) is bonded in a single-bond geometry to one O(18) atom. The O(10)-O(18) bond length is 0.24 Å. In the eleventh O site, O(11) is bonded in a single-bond geometry to one O(4) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Sr(3), one O(20), one O(5), and one O(7) atom. The O(12)-O(20) bond length is 0.46 Å. In the thirteenth O site, O(13) is bonded in a 2-coordinate geometry to one Sr(9), one O(1), and one O(3) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Sr(5), one Y(3), one Co(7), and one O(9) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Sr(6), one Y(4), and one O(3) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one O(8) atom. In the seventeenth O site, O(17) is bonded in a 2-coordinate geometry to one Co(4) and one O(2) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 120 degrees geometry to one Sr(2) and one O(10) atom. In the nineteenth O site, O(19) is bonded in a 6-coordinate geometry to one Sr(6), one Sr(8), one Co(3), one Co(9), one O(4), and one O(6) atom. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one O(12) and one O(7) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Co(10) and one Co(4) atom. In the twenty-second O site, O(22) is bonded in a linear geometry to one Y(1), one Co(2), and one Co(7) atom. In the twenty-third O site, O(23) is bonded in a distorted single-bond geometry to one Sr(6) and one Co(3) atom. In the twenty-fourth O site, O(24) is bonded in a water-like geometry to one Y(2) and one Y(3) atom. In the twenty-fifth O site, O(25) is bonded in a single-bond geometry to one Co(3) atom. In the twenty-sixth O site, O(26) is bonded in a distorted single-bond geometry to one O(30) atom. The O(26)-O(30) bond length is 1.18 Å. In the twenty-seventh O site, O(27) is bonded in a water-like geometry to one Y(2) and one Y(3) atom. In the twenty-eighth O site, O(28) is bonded in a 1-coordinate geometry to one Sr(5), one Ca(1), one Co(10), and one Co(8) atom. In the twenty-ninth O site, O(29) is bonded in a linear geometry to one Y(4) and one Co(9) atom. In the thirtieth O site, O(30) is bonded in a distorted single-bond geometry to one Co(1) and one O(26) atom.