The material described by Sr5Ca3Mn6(FeO12)2 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are five 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(4)O12 cuboctahedra, corners with four equivalent Sr(5)O12 cuboctahedra, corners with four equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Fe(1)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 Sr(3)O12 cuboctahedra, corners with four equivalent Ca(1)O12 cuboctahedra, corners with four equivalent Ca(3)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 Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. In the third Sr site, Sr(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 SrO12 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(1)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Sr(5)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. In the fourth Sr site, Sr(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(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(5)O12 cuboctahedra, corners with four equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Ca(3)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. In the fifth Sr site, Sr(5) 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(4)O12 cuboctahedra, corners with four equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Ca(3)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. There are three 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 Sr(3)O12 cuboctahedra, corners with four equivalent Ca(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(5)O12 cuboctahedra, faces with two equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Fe(1)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(4)O12 cuboctahedra, corners with four equivalent Sr(5)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 Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. In the third Ca site, Ca(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(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 Sr(3)O12 cuboctahedra, corners with four equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Sr(5)O12 cuboctahedra, faces with two equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(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 MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Fe(1)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 Sr(5)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra, and  a faceface with one Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Mn site, Mn(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 MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Fe(1)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 Sr(5)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra, and  a faceface with one Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third Mn site, Mn(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 MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(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 Sr(5)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra, and  a faceface with one Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. 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 Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(1)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 Sr(5)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra, and  a faceface with one Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), one Ca(1), one Ca(2), one Mn(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), one Ca(1), one Ca(2), one Mn(1), and one Mn(3) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), one Sr(5), one Ca(3), one Mn(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), one Sr(5), one Ca(3), one Mn(1), and one Mn(3) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mn(1), and one Fe(1) atom to form distorted OSr4MnFe octahedra that share corners with four equivalent O(7)Sr4Mn2 octahedra, edges with two equivalent O(7)Sr4Mn2 octahedra, edges with two equivalent O(5)Sr4MnFe octahedra, and  a faceface with one O(9)Sr3CaFe2 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Sr(5), one Ca(1), one Ca(2), one Ca(3), one Mn(1), and one Fe(1) atom. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mn(2), and one Mn(3) atom to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(9)Sr3CaFe2 octahedra, corners with four equivalent O(5)Sr4MnFe octahedra, edges with two equivalent O(7)Sr4Mn2 octahedra, and edges with two equivalent O(5)Sr4MnFe octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Sr(5), one Ca(1), one Ca(2), one Ca(3), one Mn(2), and one Mn(3) atom. In the ninth O site, O(9) is bonded to one Sr(1), one Sr(3), one Sr(5), one Ca(1), and two equivalent Fe(1) atoms to form distorted OSr3CaFe2 octahedra that share corners with four equivalent O(7)Sr4Mn2 octahedra and faces with two equivalent O(5)Sr4MnFe octahedra. The corner-sharing octahedral tilt angles are 60°. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Sr(2), one Sr(4), one Ca(2), one Ca(3), and two equivalent Fe(1) atoms. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), one Sr(5), one Ca(1), and two equivalent Mn(1) atoms. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Sr(2), one Sr(4), one Ca(2), one Ca(3), and two equivalent Mn(1) atoms. In the thirteenth O site, O(13) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), one Sr(5), one Ca(1), and two equivalent Mn(2) atoms. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to one Sr(2), one Sr(4), one Ca(2), one Ca(3), and two equivalent Mn(2) atoms. In the fifteenth O site, O(15) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), one Sr(5), one Ca(1), and two equivalent Mn(3) atoms. In the sixteenth O site, O(16) is bonded in a distorted linear geometry to one Sr(2), one Sr(4), one Ca(2), one Ca(3), and two equivalent Mn(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5Ca3Mn6(FeO12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.567
_cell_length_b   7.575
_cell_length_c   7.577
_cell_angle_alpha   90.003
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.314
_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  0.000  0.250  0.749  1.0
  Sr  Sr1  1  0.500  0.250  0.749  1.0
  Sr  Sr2  1  0.000  0.251  0.251  1.0
  Sr  Sr3  1  0.500  0.250  0.251  1.0
  Sr  Sr4  1  0.000  0.749  0.251  1.0
  Ca  Ca5  1  0.000  0.747  0.748  1.0
  Ca  Ca6  1  0.500  0.747  0.747  1.0
  Ca  Ca7  1  0.500  0.747  0.252  1.0
  Mn  Mn8  1  0.251  0.502  0.999  1.0
  Mn  Mn9  1  0.749  0.502  0.999  1.0
  Mn  Mn10  1  0.251  0.997  0.501  1.0
  Mn  Mn11  1  0.749  0.997  0.501  1.0
  Mn  Mn12  1  0.251  0.502  0.500  1.0
  Mn  Mn13  1  0.749  0.502  0.500  1.0
  Fe  Fe14  1  0.251  0.997  0.999  1.0
  Fe  Fe15  1  0.749  0.997  0.999  1.0
  O  O16  1  0.251  0.994  0.751  1.0
  O  O17  1  0.749  0.994  0.751  1.0
  O  O18  1  0.251  0.508  0.750  1.0
  O  O19  1  0.749  0.508  0.750  1.0
  O  O20  1  0.253  0.996  0.249  1.0
  O  O21  1  0.747  0.996  0.249  1.0
  O  O22  1  0.253  0.505  0.250  1.0
  O  O23  1  0.747  0.505  0.250  1.0
  O  O24  1  0.251  0.250  0.999  1.0
  O  O25  1  0.749  0.250  0.999  1.0
  O  O26  1  0.252  0.751  0.998  1.0
  O  O27  1  0.748  0.751  0.998  1.0
  O  O28  1  0.251  0.251  0.501  1.0
  O  O29  1  0.749  0.251  0.501  1.0
  O  O30  1  0.253  0.750  0.503  1.0
  O  O31  1  0.747  0.750  0.503  1.0
  O  O32  1  0.000  0.996  0.998  1.0
  O  O33  1  0.500  0.995  0.999  1.0
  O  O34  1  0.000  0.505  0.997  1.0
  O  O35  1  0.500  0.508  0.999  1.0
  O  O36  1  0.000  0.995  0.504  1.0
  O  O37  1  0.500  0.994  0.501  1.0
  O  O38  1  0.000  0.505  0.503  1.0
  O  O39  1  0.500  0.507  0.501  1.0
[/CIF]
.
The material described by Sr5Ca3Mn6(FeO12)2 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic Pm space group. There are five 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(4)O12 cuboctahedra, corners with four equivalent Sr(5)O12 cuboctahedra, corners with four equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Fe(1)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 Sr(3)O12 cuboctahedra, corners with four equivalent Ca(1)O12 cuboctahedra, corners with four equivalent Ca(3)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 Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. In the third Sr site, Sr(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 SrO12 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(1)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Sr(5)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. In the fourth Sr site, Sr(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(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(5)O12 cuboctahedra, corners with four equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Ca(3)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. In the fifth Sr site, Sr(5) 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(4)O12 cuboctahedra, corners with four equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Ca(3)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. There are three 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 Sr(3)O12 cuboctahedra, corners with four equivalent Ca(3)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(5)O12 cuboctahedra, faces with two equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Fe(1)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(4)O12 cuboctahedra, corners with four equivalent Sr(5)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 Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. In the third Ca site, Ca(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(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 Sr(3)O12 cuboctahedra, corners with four equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Sr(5)O12 cuboctahedra, faces with two equivalent Ca(2)O12 cuboctahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra, and faces with two equivalent Fe(1)O6 octahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(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 MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Fe(1)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 Sr(5)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra, and  a faceface with one Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Mn site, Mn(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 MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Fe(1)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 Sr(5)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra, and  a faceface with one Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third Mn site, Mn(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 MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(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 Sr(5)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra, and  a faceface with one Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. 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 Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Fe(1)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 Sr(5)O12 cuboctahedra,  a faceface with one Ca(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra, and  a faceface with one Ca(3)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), one Ca(1), one Ca(2), one Mn(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), one Ca(1), one Ca(2), one Mn(1), and one Mn(3) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), one Sr(5), one Ca(3), one Mn(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), one Sr(5), one Ca(3), one Mn(1), and one Mn(3) atom. In the fifth O site, O(5) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mn(1), and one Fe(1) atom to form distorted OSr4MnFe octahedra that share corners with four equivalent O(7)Sr4Mn2 octahedra, edges with two equivalent O(7)Sr4Mn2 octahedra, edges with two equivalent O(5)Sr4MnFe octahedra, and  a faceface with one O(9)Sr3CaFe2 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Sr(5), one Ca(1), one Ca(2), one Ca(3), one Mn(1), and one Fe(1) atom. In the seventh O site, O(7) is bonded to one Sr(1), one Sr(2), one Sr(3), one Sr(4), one Mn(2), and one Mn(3) atom to form distorted OSr4Mn2 octahedra that share corners with two equivalent O(9)Sr3CaFe2 octahedra, corners with four equivalent O(5)Sr4MnFe octahedra, edges with two equivalent O(7)Sr4Mn2 octahedra, and edges with two equivalent O(5)Sr4MnFe octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Sr(5), one Ca(1), one Ca(2), one Ca(3), one Mn(2), and one Mn(3) atom. In the ninth O site, O(9) is bonded to one Sr(1), one Sr(3), one Sr(5), one Ca(1), and two equivalent Fe(1) atoms to form distorted OSr3CaFe2 octahedra that share corners with four equivalent O(7)Sr4Mn2 octahedra and faces with two equivalent O(5)Sr4MnFe octahedra. The corner-sharing octahedral tilt angles are 60°. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Sr(2), one Sr(4), one Ca(2), one Ca(3), and two equivalent Fe(1) atoms. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), one Sr(5), one Ca(1), and two equivalent Mn(1) atoms. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Sr(2), one Sr(4), one Ca(2), one Ca(3), and two equivalent Mn(1) atoms. In the thirteenth O site, O(13) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), one Sr(5), one Ca(1), and two equivalent Mn(2) atoms. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to one Sr(2), one Sr(4), one Ca(2), one Ca(3), and two equivalent Mn(2) atoms. In the fifteenth O site, O(15) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), one Sr(5), one Ca(1), and two equivalent Mn(3) atoms. In the sixteenth O site, O(16) is bonded in a distorted linear geometry to one Sr(2), one Sr(4), one Ca(2), one Ca(3), and two equivalent Mn(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr5Ca3Mn6(FeO12)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.567
_cell_length_b   7.575
_cell_length_c   7.577
_cell_angle_alpha   90.003
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   434.314
_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  0.000  0.250  0.749  1.0
  Sr  Sr1  1  0.500  0.250  0.749  1.0
  Sr  Sr2  1  0.000  0.251  0.251  1.0
  Sr  Sr3  1  0.500  0.250  0.251  1.0
  Sr  Sr4  1  0.000  0.749  0.251  1.0
  Ca  Ca5  1  0.000  0.747  0.748  1.0
  Ca  Ca6  1  0.500  0.747  0.747  1.0
  Ca  Ca7  1  0.500  0.747  0.252  1.0
  Mn  Mn8  1  0.251  0.502  0.999  1.0
  Mn  Mn9  1  0.749  0.502  0.999  1.0
  Mn  Mn10  1  0.251  0.997  0.501  1.0
  Mn  Mn11  1  0.749  0.997  0.501  1.0
  Mn  Mn12  1  0.251  0.502  0.500  1.0
  Mn  Mn13  1  0.749  0.502  0.500  1.0
  Fe  Fe14  1  0.251  0.997  0.999  1.0
  Fe  Fe15  1  0.749  0.997  0.999  1.0
  O  O16  1  0.251  0.994  0.751  1.0
  O  O17  1  0.749  0.994  0.751  1.0
  O  O18  1  0.251  0.508  0.750  1.0
  O  O19  1  0.749  0.508  0.750  1.0
  O  O20  1  0.253  0.996  0.249  1.0
  O  O21  1  0.747  0.996  0.249  1.0
  O  O22  1  0.253  0.505  0.250  1.0
  O  O23  1  0.747  0.505  0.250  1.0
  O  O24  1  0.251  0.250  0.999  1.0
  O  O25  1  0.749  0.250  0.999  1.0
  O  O26  1  0.252  0.751  0.998  1.0
  O  O27  1  0.748  0.751  0.998  1.0
  O  O28  1  0.251  0.251  0.501  1.0
  O  O29  1  0.749  0.251  0.501  1.0
  O  O30  1  0.253  0.750  0.503  1.0
  O  O31  1  0.747  0.750  0.503  1.0
  O  O32  1  0.000  0.996  0.998  1.0
  O  O33  1  0.500  0.995  0.999  1.0
  O  O34  1  0.000  0.505  0.997  1.0
  O  O35  1  0.500  0.508  0.999  1.0
  O  O36  1  0.000  0.995  0.504  1.0
  O  O37  1  0.500  0.994  0.501  1.0
  O  O38  1  0.000  0.505  0.503  1.0
  O  O39  1  0.500  0.507  0.501  1.0
[/CIF]
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