The material structure described by Sr2Ca2Fe(CoO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(11), one O(13), one O(15), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra, corners with four equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Ca(3)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(10), one O(12), one O(14), one O(16), two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Ca(1)O12 cuboctahedra, corners with four equivalent Ca(3)O12 cuboctahedra, corners with four equivalent Ca(4)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(10), one O(12), one O(14), one O(16), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra, corners with four equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Ca(3)O12 cuboctahedra, faces with two equivalent Ca(4)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to one O(11), one O(13), one O(15), one O(9), two equivalent O(3), two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Ca(3)O12 cuboctahedra, faces with two equivalent Ca(4)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(11), one O(13), one O(15), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form CaO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Ca(3)O12 cuboctahedra, corners with four equivalent Ca(4)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. In the second Ca site, Ca(2) is bonded to one O(10), one O(12), one O(14), one O(16), two equivalent O(1), two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form CaO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Ca(4)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. In the third Ca site, Ca(3) is bonded to one O(11), one O(13), one O(15), one O(9), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form CaO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Ca(1)O12 cuboctahedra, corners with four equivalent Ca(4)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(10), one O(12), one O(14), one O(16), two equivalent O(3), two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form CaO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Ca(1)O12 cuboctahedra, corners with four equivalent Ca(3)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. Fe(1) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra,  a faceface with one Ca(3)O12 cuboctahedra, and  a faceface with one Ca(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(12), one O(2), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra,  a faceface with one Ca(3)O12 cuboctahedra, and  a faceface with one Ca(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Co site, Co(2) is bonded to one O(1), one O(13), one O(14), one O(3), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra,  a faceface with one Ca(3)O12 cuboctahedra, and  a faceface with one Ca(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third Co site, Co(3) is bonded to one O(15), one O(16), one O(2), one O(4), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra,  a faceface with one Ca(3)O12 cuboctahedra, and  a faceface with one Ca(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Ca(1), one Ca(2), one Fe(1), and one Co(2) atom to form distorted OSr2Ca2FeCo octahedra that share corners with two equivalent O(11)Sr2Ca2Co2 octahedra, corners with two equivalent O(12)Sr2Ca2Co2 octahedra, corners with two equivalent O(15)Sr2Ca2Co2 octahedra, corners with two equivalent O(16)Sr2Ca2Co2 octahedra, corners with two equivalent O(3)Sr2Ca2FeCo octahedra, corners with two equivalent O(7)Sr3CaCo2 octahedra, corners with four equivalent O(2)Sr2Ca2Co2 octahedra, edges with two equivalent O(2)Sr2Ca2Co2 octahedra, edges with two equivalent O(1)Sr2Ca2FeCo octahedra,  a faceface with one O(13)Sr2Ca2Co2 octahedra,  a faceface with one O(14)Sr2Ca2Co2 octahedra,  a faceface with one O(10)Sr2Ca2Fe2 octahedra,  a faceface with one O(9)Sr2Ca2Fe2 octahedra, and  a faceface with one O(7)Sr3CaCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), one Ca(1), one Ca(2), one Co(1), and one Co(3) atom to form distorted OSr2Ca2Co2 octahedra that share corners with two equivalent O(13)Sr2Ca2Co2 octahedra, corners with two equivalent O(14)Sr2Ca2Co2 octahedra, corners with two equivalent O(4)Sr2Ca2Co2 octahedra, corners with two equivalent O(10)Sr2Ca2Fe2 octahedra, corners with two equivalent O(9)Sr2Ca2Fe2 octahedra, corners with two equivalent O(7)Sr3CaCo2 octahedra, corners with four equivalent O(1)Sr2Ca2FeCo octahedra, edges with two equivalent O(2)Sr2Ca2Co2 octahedra, edges with two equivalent O(1)Sr2Ca2FeCo octahedra,  a faceface with one O(11)Sr2Ca2Co2 octahedra,  a faceface with one O(12)Sr2Ca2Co2 octahedra,  a faceface with one O(15)Sr2Ca2Co2 octahedra,  a faceface with one O(16)Sr2Ca2Co2 octahedra, and  a faceface with one O(7)Sr3CaCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the third O site, O(3) is bonded to one Sr(3), one Sr(4), one Ca(3), one Ca(4), one Fe(1), and one Co(2) atom to form distorted OSr2Ca2FeCo octahedra that share corners with two equivalent O(11)Sr2Ca2Co2 octahedra, corners with two equivalent O(12)Sr2Ca2Co2 octahedra, corners with two equivalent O(15)Sr2Ca2Co2 octahedra, corners with two equivalent O(16)Sr2Ca2Co2 octahedra, corners with two equivalent O(1)Sr2Ca2FeCo octahedra, corners with two equivalent O(7)Sr3CaCo2 octahedra, corners with four equivalent O(4)Sr2Ca2Co2 octahedra, edges with two equivalent O(4)Sr2Ca2Co2 octahedra, edges with two equivalent O(3)Sr2Ca2FeCo octahedra,  a faceface with one O(13)Sr2Ca2Co2 octahedra,  a faceface with one O(14)Sr2Ca2Co2 octahedra,  a faceface with one O(10)Sr2Ca2Fe2 octahedra,  a faceface with one O(9)Sr2Ca2Fe2 octahedra, and  a faceface with one O(7)Sr3CaCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the fourth O site, O(4) is bonded to one Sr(3), one Sr(4), one Ca(3), one Ca(4), one Co(1), and one Co(3) atom to form distorted OSr2Ca2Co2 octahedra that share corners with two equivalent O(13)Sr2Ca2Co2 octahedra, corners with two equivalent O(14)Sr2Ca2Co2 octahedra, corners with two equivalent O(2)Sr2Ca2Co2 octahedra, corners with two equivalent O(10)Sr2Ca2Fe2 octahedra, corners with two equivalent O(9)Sr2Ca2Fe2 octahedra, corners with two equivalent O(7)Sr3CaCo2 octahedra, corners with four equivalent O(3)Sr2Ca2FeCo octahedra, edges with two equivalent O(4)Sr2Ca2Co2 octahedra, edges with two equivalent O(3)Sr2Ca2FeCo octahedra,  a faceface with one O(11)Sr2Ca2Co2 octahedra,  a faceface with one O(12)Sr2Ca2Co2 octahedra,  a faceface with one O(15)Sr2Ca2Co2 octahedra,  a faceface with one O(16)Sr2Ca2Co2 octahedra, and  a faceface with one O(7)Sr3CaCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), one Sr(3), one Ca(3), one Fe(1), and one Co(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Sr(4), one Ca(1), one Ca(2), one Ca(4), one Fe(1), and one Co(1) atom. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(2), one Sr(3), one Ca(3), one Co(2), and one Co(3) atom to form distorted OSr3CaCo2 octahedra that share corners with two equivalent O(11)Sr2Ca2Co2 octahedra, corners with two equivalent O(12)Sr2Ca2Co2 octahedra, corners with two equivalent O(2)Sr2Ca2Co2 octahedra, corners with two equivalent O(4)Sr2Ca2Co2 octahedra, corners with two equivalent O(10)Sr2Ca2Fe2 octahedra, corners with two equivalent O(9)Sr2Ca2Fe2 octahedra, corners with two equivalent O(1)Sr2Ca2FeCo octahedra, corners with two equivalent O(3)Sr2Ca2FeCo octahedra, edges with two equivalent O(7)Sr3CaCo2 octahedra,  a faceface with one O(13)Sr2Ca2Co2 octahedra,  a faceface with one O(14)Sr2Ca2Co2 octahedra,  a faceface with one O(15)Sr2Ca2Co2 octahedra,  a faceface with one O(16)Sr2Ca2Co2 octahedra,  a faceface with one O(2)Sr2Ca2Co2 octahedra,  a faceface with one O(4)Sr2Ca2Co2 octahedra,  a faceface with one O(1)Sr2Ca2FeCo octahedra, and  a faceface with one O(3)Sr2Ca2FeCo octahedra. The corner-sharing octahedral tilt angles range from 58-62°. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Sr(4), one Ca(1), one Ca(2), one Ca(4), one Co(2), and one Co(3) atom. In the ninth O site, O(9) is bonded to one Sr(1), one Sr(4), one Ca(1), one Ca(3), and two equivalent Fe(1) atoms to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(10)Sr2Ca2Fe2 octahedra, corners with four equivalent O(15)Sr2Ca2Co2 octahedra, corners with four equivalent O(2)Sr2Ca2Co2 octahedra, corners with four equivalent O(4)Sr2Ca2Co2 octahedra, corners with four equivalent O(7)Sr3CaCo2 octahedra, edges with two equivalent O(11)Sr2Ca2Co2 octahedra, edges with two equivalent O(13)Sr2Ca2Co2 octahedra, faces with two equivalent O(1)Sr2Ca2FeCo octahedra, and faces with two equivalent O(3)Sr2Ca2FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the tenth O site, O(10) is bonded to one Sr(2), one Sr(3), one Ca(2), one Ca(4), and two equivalent Fe(1) atoms to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(9)Sr2Ca2Fe2 octahedra, corners with four equivalent O(16)Sr2Ca2Co2 octahedra, corners with four equivalent O(2)Sr2Ca2Co2 octahedra, corners with four equivalent O(4)Sr2Ca2Co2 octahedra, corners with four equivalent O(7)Sr3CaCo2 octahedra, edges with two equivalent O(12)Sr2Ca2Co2 octahedra, edges with two equivalent O(14)Sr2Ca2Co2 octahedra, faces with two equivalent O(1)Sr2Ca2FeCo octahedra, and faces with two equivalent O(3)Sr2Ca2FeCo octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the eleventh O site, O(11) is bonded to one Sr(1), one Sr(4), one Ca(1), one Ca(3), and two equivalent Co(1) atoms to form distorted OSr2Ca2Co2 octahedra that share corners with two equivalent O(12)Sr2Ca2Co2 octahedra, corners with four equivalent O(13)Sr2Ca2Co2 octahedra, corners with four equivalent O(1)Sr2Ca2FeCo octahedra, corners with four equivalent O(3)Sr2Ca2FeCo octahedra, corners with four equivalent O(7)Sr3CaCo2 octahedra, edges with two equivalent O(15)Sr2Ca2Co2 octahedra, edges with two equivalent O(9)Sr2Ca2Fe2 octahedra, faces with two equivalent O(2)Sr2Ca2Co2 octahedra, and faces with two equivalent O(4)Sr2Ca2Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the twelfth O site, O(12) is bonded to one Sr(2), one Sr(3), one Ca(2), one Ca(4), and two equivalent Co(1) atoms to form distorted OSr2Ca2Co2 octahedra that share corners with two equivalent O(11)Sr2Ca2Co2 octahedra, corners with four equivalent O(14)Sr2Ca2Co2 octahedra, corners with four equivalent O(1)Sr2Ca2FeCo octahedra, corners with four equivalent O(3)Sr2Ca2FeCo octahedra, corners with four equivalent O(7)Sr3CaCo2 octahedra, edges with two equivalent O(16)Sr2Ca2Co2 octahedra, edges with two equivalent O(10)Sr2Ca2Fe2 octahedra, faces with two equivalent O(2)Sr2Ca2Co2 octahedra, and faces with two equivalent O(4)Sr2Ca2Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the thirteenth O site, O(13) is bonded to one Sr(1), one Sr(4), one Ca(1), one Ca(3), and two equivalent Co(2) atoms to form distorted OSr2Ca2Co2 octahedra that share corners with two equivalent O(14)Sr2Ca2Co2 octahedra, corners with four equivalent O(11)Sr2Ca2Co2 octahedra, corners with four equivalent O(2)Sr2Ca2Co2 octahedra, corners with four equivalent O(4)Sr2Ca2Co2 octahedra, edges with two equivalent O(15)Sr2Ca2Co2 octahedra, edges with two equivalent O(9)Sr2Ca2Fe2 octahedra, faces with two equivalent O(1)Sr2Ca2FeCo octahedra, faces with two equivalent O(3)Sr2Ca2FeCo octahedra, and faces with two equivalent O(7)Sr3CaCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the fourteenth O site, O(14) is bonded to one Sr(2), one Sr(3), one Ca(2), one Ca(4), and two equivalent Co(2) atoms to form distorted OSr2Ca2Co2 octahedra that share corners with two equivalent O(13)Sr2Ca2Co2 octahedra, corners with four equivalent O(12)Sr2Ca2Co2 octahedra, corners with four equivalent O(2)Sr2Ca2Co2 octahedra, corners with four equivalent O(4)Sr2Ca2Co2 octahedra, edges with two equivalent O(16)Sr2Ca2Co2 octahedra, edges with two equivalent O(10)Sr2Ca2Fe2 octahedra, faces with two equivalent O(1)Sr2Ca2FeCo octahedra, faces with two equivalent O(3)Sr2Ca2FeCo octahedra, and faces with two equivalent O(7)Sr3CaCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fifteenth O site, O(15) is bonded to one Sr(1), one Sr(4), one Ca(1), one Ca(3), and two equivalent Co(3) atoms to form distorted OSr2Ca2Co2 octahedra that share corners with two equivalent O(16)Sr2Ca2Co2 octahedra, corners with four equivalent O(9)Sr2Ca2Fe2 octahedra, corners with four equivalent O(1)Sr2Ca2FeCo octahedra, corners with four equivalent O(3)Sr2Ca2FeCo octahedra, edges with two equivalent O(11)Sr2Ca2Co2 octahedra, edges with two equivalent O(13)Sr2Ca2Co2 octahedra, faces with two equivalent O(2)Sr2Ca2Co2 octahedra, faces with two equivalent O(4)Sr2Ca2Co2 octahedra, and faces with two equivalent O(7)Sr3CaCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the sixteenth O site, O(16) is bonded to one Sr(2), one Sr(3), one Ca(2), one Ca(4), and two equivalent Co(3) atoms to form distorted OSr2Ca2Co2 octahedra that share corners with two equivalent O(15)Sr2Ca2Co2 octahedra, corners with four equivalent O(10)Sr2Ca2Fe2 octahedra, corners with four equivalent O(1)Sr2Ca2FeCo octahedra, corners with four equivalent O(3)Sr2Ca2FeCo octahedra, edges with two equivalent O(12)Sr2Ca2Co2 octahedra, edges with two equivalent O(14)Sr2Ca2Co2 octahedra, faces with two equivalent O(2)Sr2Ca2Co2 octahedra, faces with two equivalent O(4)Sr2Ca2Co2 octahedra, and faces with two equivalent O(7)Sr3CaCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-60°. is represented by the CIF card [CIF]
data_Sr2Ca2Fe(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.821
_cell_length_b   7.591
_cell_length_c   7.680
_cell_angle_alpha   89.996
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   455.983
_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  0.251  0.253  1.0
  Sr  Sr1  1  0.000  0.250  0.254  1.0
  Sr  Sr2  1  0.000  0.250  0.747  1.0
  Sr  Sr3  1  0.500  0.749  0.747  1.0
  Ca  Ca4  1  0.500  0.755  0.260  1.0
  Ca  Ca5  1  0.000  0.753  0.259  1.0
  Ca  Ca6  1  0.500  0.246  0.740  1.0
  Ca  Ca7  1  0.000  0.754  0.739  1.0
  Fe  Fe8  1  0.250  0.998  1.000  1.0
  Fe  Fe9  1  0.750  0.998  1.000  1.0
  Co  Co10  1  0.250  0.501  1.000  1.0
  Co  Co11  1  0.750  0.501  1.000  1.0
  Co  Co12  1  0.250  0.999  0.500  1.0
  Co  Co13  1  0.750  0.999  0.500  1.0
  Co  Co14  1  0.250  0.502  0.500  1.0
  Co  Co15  1  0.750  0.502  0.500  1.0
  O  O16  1  0.250  0.993  0.247  1.0
  O  O17  1  0.750  0.993  0.247  1.0
  O  O18  1  0.250  0.504  0.265  1.0
  O  O19  1  0.750  0.504  0.265  1.0
  O  O20  1  0.250  0.998  0.753  1.0
  O  O21  1  0.750  0.998  0.753  1.0
  O  O22  1  0.249  0.500  0.735  1.0
  O  O23  1  0.751  0.500  0.735  1.0
  O  O24  1  0.251  0.263  0.998  1.0
  O  O25  1  0.749  0.263  0.998  1.0
  O  O26  1  0.249  0.737  0.001  1.0
  O  O27  1  0.751  0.737  0.001  1.0
  O  O28  1  0.249  0.237  0.501  1.0
  O  O29  1  0.751  0.237  0.501  1.0
  O  O30  1  0.253  0.762  0.499  1.0
  O  O31  1  0.747  0.762  0.499  1.0
  O  O32  1  0.500  0.997  0.001  1.0
  O  O33  1  0.000  0.994  0.000  1.0
  O  O34  1  0.500  0.502  0.000  1.0
  O  O35  1  0.000  0.504  0.000  1.0
  O  O36  1  0.500  0.000  0.499  1.0
  O  O37  1  0.000  0.989  0.500  1.0
  O  O38  1  0.500  0.497  0.501  1.0
  O  O39  1  0.000  0.521  0.500  1.0
[/CIF]
.
The material structure described by Sr2Ca2Fe(CoO4)3 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(11), one O(13), one O(15), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra, corners with four equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Ca(3)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(10), one O(12), one O(14), one O(16), two equivalent O(1), two equivalent O(2), two equivalent O(5), and two equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Ca(1)O12 cuboctahedra, corners with four equivalent Ca(3)O12 cuboctahedra, corners with four equivalent Ca(4)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(10), one O(12), one O(14), one O(16), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra, corners with four equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Ca(3)O12 cuboctahedra, faces with two equivalent Ca(4)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to one O(11), one O(13), one O(15), one O(9), two equivalent O(3), two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Ca(3)O12 cuboctahedra, faces with two equivalent Ca(4)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(11), one O(13), one O(15), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form CaO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Ca(3)O12 cuboctahedra, corners with four equivalent Ca(4)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. In the second Ca site, Ca(2) is bonded to one O(10), one O(12), one O(14), one O(16), two equivalent O(1), two equivalent O(2), two equivalent O(6), and two equivalent O(8) atoms to form CaO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Sr(3)O12 cuboctahedra, corners with four equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Ca(4)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. In the third Ca site, Ca(3) is bonded to one O(11), one O(13), one O(15), one O(9), two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(7) atoms to form CaO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Ca(1)O12 cuboctahedra, corners with four equivalent Ca(4)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(10), one O(12), one O(14), one O(16), two equivalent O(3), two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form CaO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with four equivalent Ca(1)O12 cuboctahedra, corners with four equivalent Ca(3)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Co(1)O6 octahedra, faces with two equivalent Co(2)O6 octahedra, and faces with two equivalent Co(3)O6 octahedra. Fe(1) is bonded to one O(1), one O(10), one O(3), one O(5), one O(6), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra,  a faceface with one Ca(3)O12 cuboctahedra, and  a faceface with one Ca(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(11), one O(12), one O(2), one O(4), one O(5), and one O(6) atom to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra,  a faceface with one Ca(3)O12 cuboctahedra, and  a faceface with one Ca(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Co site, Co(2) is bonded to one O(1), one O(13), one O(14), one O(3), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra,  a faceface with one Ca(3)O12 cuboctahedra, and  a faceface with one Ca(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the third Co site, Co(3) is bonded to one O(15), one O(16), one O(2), one O(4), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Sr(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra,  a faceface with one Ca(3)O12 cuboctahedra, and  a faceface with one Ca(4)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-8°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Sr(1), one Sr(2), one Ca(1), one Ca(2), one Fe(1), and one Co(2) atom to form distorted OSr2Ca2FeCo octahedra that share corners with two equivalent O(11)Sr2Ca2Co2 octahedra, corners with two equivalent O(12)Sr2Ca2Co2 octahedra, corners with two equivalent O(15)Sr2Ca2Co2 octahedra, corners with two equivalent O(16)Sr2Ca2Co2 octahedra, corners with two equivalent O(3)Sr2Ca2FeCo octahedra, corners with two equivalent O(7)Sr3CaCo2 octahedra, corners with four equivalent O(2)Sr2Ca2Co2 octahedra, edges with two equivalent O(2)Sr2Ca2Co2 octahedra, edges with two equivalent O(1)Sr2Ca2FeCo octahedra,  a faceface with one O(13)Sr2Ca2Co2 octahedra,  a faceface with one O(14)Sr2Ca2Co2 octahedra,  a faceface with one O(10)Sr2Ca2Fe2 octahedra,  a faceface with one O(9)Sr2Ca2Fe2 octahedra, and  a faceface with one O(7)Sr3CaCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), one Ca(1), one Ca(2), one Co(1), and one Co(3) atom to form distorted OSr2Ca2Co2 octahedra that share corners with two equivalent O(13)Sr2Ca2Co2 octahedra, corners with two equivalent O(14)Sr2Ca2Co2 octahedra, corners with two equivalent O(4)Sr2Ca2Co2 octahedra, corners with two equivalent O(10)Sr2Ca2Fe2 octahedra, corners with two equivalent O(9)Sr2Ca2Fe2 octahedra, corners with two equivalent O(7)Sr3CaCo2 octahedra, corners with four equivalent O(1)Sr2Ca2FeCo octahedra, edges with two equivalent O(2)Sr2Ca2Co2 octahedra, edges with two equivalent O(1)Sr2Ca2FeCo octahedra,  a faceface with one O(11)Sr2Ca2Co2 octahedra,  a faceface with one O(12)Sr2Ca2Co2 octahedra,  a faceface with one O(15)Sr2Ca2Co2 octahedra,  a faceface with one O(16)Sr2Ca2Co2 octahedra, and  a faceface with one O(7)Sr3CaCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the third O site, O(3) is bonded to one Sr(3), one Sr(4), one Ca(3), one Ca(4), one Fe(1), and one Co(2) atom to form distorted OSr2Ca2FeCo octahedra that share corners with two equivalent O(11)Sr2Ca2Co2 octahedra, corners with two equivalent O(12)Sr2Ca2Co2 octahedra, corners with two equivalent O(15)Sr2Ca2Co2 octahedra, corners with two equivalent O(16)Sr2Ca2Co2 octahedra, corners with two equivalent O(1)Sr2Ca2FeCo octahedra, corners with two equivalent O(7)Sr3CaCo2 octahedra, corners with four equivalent O(4)Sr2Ca2Co2 octahedra, edges with two equivalent O(4)Sr2Ca2Co2 octahedra, edges with two equivalent O(3)Sr2Ca2FeCo octahedra,  a faceface with one O(13)Sr2Ca2Co2 octahedra,  a faceface with one O(14)Sr2Ca2Co2 octahedra,  a faceface with one O(10)Sr2Ca2Fe2 octahedra,  a faceface with one O(9)Sr2Ca2Fe2 octahedra, and  a faceface with one O(7)Sr3CaCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the fourth O site, O(4) is bonded to one Sr(3), one Sr(4), one Ca(3), one Ca(4), one Co(1), and one Co(3) atom to form distorted OSr2Ca2Co2 octahedra that share corners with two equivalent O(13)Sr2Ca2Co2 octahedra, corners with two equivalent O(14)Sr2Ca2Co2 octahedra, corners with two equivalent O(2)Sr2Ca2Co2 octahedra, corners with two equivalent O(10)Sr2Ca2Fe2 octahedra, corners with two equivalent O(9)Sr2Ca2Fe2 octahedra, corners with two equivalent O(7)Sr3CaCo2 octahedra, corners with four equivalent O(3)Sr2Ca2FeCo octahedra, edges with two equivalent O(4)Sr2Ca2Co2 octahedra, edges with two equivalent O(3)Sr2Ca2FeCo octahedra,  a faceface with one O(11)Sr2Ca2Co2 octahedra,  a faceface with one O(12)Sr2Ca2Co2 octahedra,  a faceface with one O(15)Sr2Ca2Co2 octahedra,  a faceface with one O(16)Sr2Ca2Co2 octahedra, and  a faceface with one O(7)Sr3CaCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fifth O site, O(5) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), one Sr(3), one Ca(3), one Fe(1), and one Co(1) atom. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Sr(4), one Ca(1), one Ca(2), one Ca(4), one Fe(1), and one Co(1) atom. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(2), one Sr(3), one Ca(3), one Co(2), and one Co(3) atom to form distorted OSr3CaCo2 octahedra that share corners with two equivalent O(11)Sr2Ca2Co2 octahedra, corners with two equivalent O(12)Sr2Ca2Co2 octahedra, corners with two equivalent O(2)Sr2Ca2Co2 octahedra, corners with two equivalent O(4)Sr2Ca2Co2 octahedra, corners with two equivalent O(10)Sr2Ca2Fe2 octahedra, corners with two equivalent O(9)Sr2Ca2Fe2 octahedra, corners with two equivalent O(1)Sr2Ca2FeCo octahedra, corners with two equivalent O(3)Sr2Ca2FeCo octahedra, edges with two equivalent O(7)Sr3CaCo2 octahedra,  a faceface with one O(13)Sr2Ca2Co2 octahedra,  a faceface with one O(14)Sr2Ca2Co2 octahedra,  a faceface with one O(15)Sr2Ca2Co2 octahedra,  a faceface with one O(16)Sr2Ca2Co2 octahedra,  a faceface with one O(2)Sr2Ca2Co2 octahedra,  a faceface with one O(4)Sr2Ca2Co2 octahedra,  a faceface with one O(1)Sr2Ca2FeCo octahedra, and  a faceface with one O(3)Sr2Ca2FeCo octahedra. The corner-sharing octahedral tilt angles range from 58-62°. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Sr(4), one Ca(1), one Ca(2), one Ca(4), one Co(2), and one Co(3) atom. In the ninth O site, O(9) is bonded to one Sr(1), one Sr(4), one Ca(1), one Ca(3), and two equivalent Fe(1) atoms to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(10)Sr2Ca2Fe2 octahedra, corners with four equivalent O(15)Sr2Ca2Co2 octahedra, corners with four equivalent O(2)Sr2Ca2Co2 octahedra, corners with four equivalent O(4)Sr2Ca2Co2 octahedra, corners with four equivalent O(7)Sr3CaCo2 octahedra, edges with two equivalent O(11)Sr2Ca2Co2 octahedra, edges with two equivalent O(13)Sr2Ca2Co2 octahedra, faces with two equivalent O(1)Sr2Ca2FeCo octahedra, and faces with two equivalent O(3)Sr2Ca2FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the tenth O site, O(10) is bonded to one Sr(2), one Sr(3), one Ca(2), one Ca(4), and two equivalent Fe(1) atoms to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(9)Sr2Ca2Fe2 octahedra, corners with four equivalent O(16)Sr2Ca2Co2 octahedra, corners with four equivalent O(2)Sr2Ca2Co2 octahedra, corners with four equivalent O(4)Sr2Ca2Co2 octahedra, corners with four equivalent O(7)Sr3CaCo2 octahedra, edges with two equivalent O(12)Sr2Ca2Co2 octahedra, edges with two equivalent O(14)Sr2Ca2Co2 octahedra, faces with two equivalent O(1)Sr2Ca2FeCo octahedra, and faces with two equivalent O(3)Sr2Ca2FeCo octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the eleventh O site, O(11) is bonded to one Sr(1), one Sr(4), one Ca(1), one Ca(3), and two equivalent Co(1) atoms to form distorted OSr2Ca2Co2 octahedra that share corners with two equivalent O(12)Sr2Ca2Co2 octahedra, corners with four equivalent O(13)Sr2Ca2Co2 octahedra, corners with four equivalent O(1)Sr2Ca2FeCo octahedra, corners with four equivalent O(3)Sr2Ca2FeCo octahedra, corners with four equivalent O(7)Sr3CaCo2 octahedra, edges with two equivalent O(15)Sr2Ca2Co2 octahedra, edges with two equivalent O(9)Sr2Ca2Fe2 octahedra, faces with two equivalent O(2)Sr2Ca2Co2 octahedra, and faces with two equivalent O(4)Sr2Ca2Co2 octahedra. The corner-sharing octahedral tilt angles range from 1-64°. In the twelfth O site, O(12) is bonded to one Sr(2), one Sr(3), one Ca(2), one Ca(4), and two equivalent Co(1) atoms to form distorted OSr2Ca2Co2 octahedra that share corners with two equivalent O(11)Sr2Ca2Co2 octahedra, corners with four equivalent O(14)Sr2Ca2Co2 octahedra, corners with four equivalent O(1)Sr2Ca2FeCo octahedra, corners with four equivalent O(3)Sr2Ca2FeCo octahedra, corners with four equivalent O(7)Sr3CaCo2 octahedra, edges with two equivalent O(16)Sr2Ca2Co2 octahedra, edges with two equivalent O(10)Sr2Ca2Fe2 octahedra, faces with two equivalent O(2)Sr2Ca2Co2 octahedra, and faces with two equivalent O(4)Sr2Ca2Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-64°. In the thirteenth O site, O(13) is bonded to one Sr(1), one Sr(4), one Ca(1), one Ca(3), and two equivalent Co(2) atoms to form distorted OSr2Ca2Co2 octahedra that share corners with two equivalent O(14)Sr2Ca2Co2 octahedra, corners with four equivalent O(11)Sr2Ca2Co2 octahedra, corners with four equivalent O(2)Sr2Ca2Co2 octahedra, corners with four equivalent O(4)Sr2Ca2Co2 octahedra, edges with two equivalent O(15)Sr2Ca2Co2 octahedra, edges with two equivalent O(9)Sr2Ca2Fe2 octahedra, faces with two equivalent O(1)Sr2Ca2FeCo octahedra, faces with two equivalent O(3)Sr2Ca2FeCo octahedra, and faces with two equivalent O(7)Sr3CaCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-62°. In the fourteenth O site, O(14) is bonded to one Sr(2), one Sr(3), one Ca(2), one Ca(4), and two equivalent Co(2) atoms to form distorted OSr2Ca2Co2 octahedra that share corners with two equivalent O(13)Sr2Ca2Co2 octahedra, corners with four equivalent O(12)Sr2Ca2Co2 octahedra, corners with four equivalent O(2)Sr2Ca2Co2 octahedra, corners with four equivalent O(4)Sr2Ca2Co2 octahedra, edges with two equivalent O(16)Sr2Ca2Co2 octahedra, edges with two equivalent O(10)Sr2Ca2Fe2 octahedra, faces with two equivalent O(1)Sr2Ca2FeCo octahedra, faces with two equivalent O(3)Sr2Ca2FeCo octahedra, and faces with two equivalent O(7)Sr3CaCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-62°. In the fifteenth O site, O(15) is bonded to one Sr(1), one Sr(4), one Ca(1), one Ca(3), and two equivalent Co(3) atoms to form distorted OSr2Ca2Co2 octahedra that share corners with two equivalent O(16)Sr2Ca2Co2 octahedra, corners with four equivalent O(9)Sr2Ca2Fe2 octahedra, corners with four equivalent O(1)Sr2Ca2FeCo octahedra, corners with four equivalent O(3)Sr2Ca2FeCo octahedra, edges with two equivalent O(11)Sr2Ca2Co2 octahedra, edges with two equivalent O(13)Sr2Ca2Co2 octahedra, faces with two equivalent O(2)Sr2Ca2Co2 octahedra, faces with two equivalent O(4)Sr2Ca2Co2 octahedra, and faces with two equivalent O(7)Sr3CaCo2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the sixteenth O site, O(16) is bonded to one Sr(2), one Sr(3), one Ca(2), one Ca(4), and two equivalent Co(3) atoms to form distorted OSr2Ca2Co2 octahedra that share corners with two equivalent O(15)Sr2Ca2Co2 octahedra, corners with four equivalent O(10)Sr2Ca2Fe2 octahedra, corners with four equivalent O(1)Sr2Ca2FeCo octahedra, corners with four equivalent O(3)Sr2Ca2FeCo octahedra, edges with two equivalent O(12)Sr2Ca2Co2 octahedra, edges with two equivalent O(14)Sr2Ca2Co2 octahedra, faces with two equivalent O(2)Sr2Ca2Co2 octahedra, faces with two equivalent O(4)Sr2Ca2Co2 octahedra, and faces with two equivalent O(7)Sr3CaCo2 octahedra. The corner-sharing octahedral tilt angles range from 1-60°. is represented by the CIF card [CIF]
data_Sr2Ca2Fe(CoO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.821
_cell_length_b   7.591
_cell_length_c   7.680
_cell_angle_alpha   89.996
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   455.983
_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  0.251  0.253  1.0
  Sr  Sr1  1  0.000  0.250  0.254  1.0
  Sr  Sr2  1  0.000  0.250  0.747  1.0
  Sr  Sr3  1  0.500  0.749  0.747  1.0
  Ca  Ca4  1  0.500  0.755  0.260  1.0
  Ca  Ca5  1  0.000  0.753  0.259  1.0
  Ca  Ca6  1  0.500  0.246  0.740  1.0
  Ca  Ca7  1  0.000  0.754  0.739  1.0
  Fe  Fe8  1  0.250  0.998  1.000  1.0
  Fe  Fe9  1  0.750  0.998  1.000  1.0
  Co  Co10  1  0.250  0.501  1.000  1.0
  Co  Co11  1  0.750  0.501  1.000  1.0
  Co  Co12  1  0.250  0.999  0.500  1.0
  Co  Co13  1  0.750  0.999  0.500  1.0
  Co  Co14  1  0.250  0.502  0.500  1.0
  Co  Co15  1  0.750  0.502  0.500  1.0
  O  O16  1  0.250  0.993  0.247  1.0
  O  O17  1  0.750  0.993  0.247  1.0
  O  O18  1  0.250  0.504  0.265  1.0
  O  O19  1  0.750  0.504  0.265  1.0
  O  O20  1  0.250  0.998  0.753  1.0
  O  O21  1  0.750  0.998  0.753  1.0
  O  O22  1  0.249  0.500  0.735  1.0
  O  O23  1  0.751  0.500  0.735  1.0
  O  O24  1  0.251  0.263  0.998  1.0
  O  O25  1  0.749  0.263  0.998  1.0
  O  O26  1  0.249  0.737  0.001  1.0
  O  O27  1  0.751  0.737  0.001  1.0
  O  O28  1  0.249  0.237  0.501  1.0
  O  O29  1  0.751  0.237  0.501  1.0
  O  O30  1  0.253  0.762  0.499  1.0
  O  O31  1  0.747  0.762  0.499  1.0
  O  O32  1  0.500  0.997  0.001  1.0
  O  O33  1  0.000  0.994  0.000  1.0
  O  O34  1  0.500  0.502  0.000  1.0
  O  O35  1  0.000  0.504  0.000  1.0
  O  O36  1  0.500  0.000  0.499  1.0
  O  O37  1  0.000  0.989  0.500  1.0
  O  O38  1  0.500  0.497  0.501  1.0
  O  O39  1  0.000  0.521  0.500  1.0
[/CIF]
.