The structure described by Sr5Ca3Mn4(FeO6)4 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1), one O(13), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), one O(9), and two equivalent O(10) 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 Sr(3)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Fe(3)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(13), one O(9), two equivalent O(1), two equivalent O(10), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, corners with eight equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Ca(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Fe(3)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(13), one O(9), two equivalent O(10), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Fe(3)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to one O(11), one O(14), two equivalent O(12), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with four equivalent Ca(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Ca(1)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Fe(3)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(11), one O(14), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent O(12) 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(1)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Ca(2)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Fe(3)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. In the second Ca site, Ca(2) is bonded to one O(11), one O(14), two equivalent O(1), two equivalent O(12), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CaO12 cuboctahedra that share corners with four equivalent Sr(4)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Ca(1)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Fe(3)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  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(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Mn site, Mn(2) is bonded to one O(13), one O(14), two equivalent O(2), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  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(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third Mn site, Mn(3) is bonded to one O(13), one O(14), two equivalent O(4), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  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(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(9), two equivalent O(1), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  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(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(5), and one O(6) 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(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third Fe site, Fe(3) is bonded to one O(11), one O(9), two equivalent O(3), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  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(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are fourteen 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 Fe(1), and one Fe(2) 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(2), and one Fe(2) atom. In the third O site, O(3) 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 Fe(3) atom. In the fourth O site, O(4) 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 fifth O site, O(5) is bonded to one Sr(1), one Sr(3), one Sr(4), one Ca(1), one Fe(1), and one Fe(2) atom to form distorted OSr3CaFe2 octahedra that share corners with two equivalent O(13)Sr4Mn2 octahedra, corners with two equivalent O(10)Sr4MnFe octahedra,  a faceface with one O(5)Sr3CaFe2 octahedra,  a faceface with one O(9)Sr4Fe2 octahedra, and  a faceface with one O(10)Sr4MnFe octahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), one Sr(4), one Ca(1), one Mn(2), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), one Sr(4), one Ca(1), one Mn(1), and one Fe(3) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), one Sr(4), one Ca(1), one Mn(1), and one Mn(3) atom. In the ninth O site, O(9) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Fe(1), and one Fe(3) atom to form distorted OSr4Fe2 octahedra that share corners with four equivalent O(13)Sr4Mn2 octahedra, edges with four equivalent O(10)Sr4MnFe octahedra, and faces with two equivalent O(5)Sr3CaFe2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the tenth O site, O(10) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Mn(1), and one Fe(2) atom to form distorted OSr4MnFe octahedra that share corners with two equivalent O(5)Sr3CaFe2 octahedra, corners with four equivalent O(10)Sr4MnFe octahedra, edges with two equivalent O(9)Sr4Fe2 octahedra, edges with two equivalent O(13)Sr4Mn2 octahedra, and  a faceface with one O(5)Sr3CaFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one Sr(4), one Ca(2), two equivalent Ca(1), one Fe(1), and one Fe(3) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Sr(4), one Ca(2), two equivalent Ca(1), one Mn(1), and one Fe(2) atom. In the thirteenth O site, O(13) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Mn(2), and one Mn(3) atom to form distorted OSr4Mn2 octahedra that share corners with four equivalent O(5)Sr3CaFe2 octahedra, corners with four equivalent O(9)Sr4Fe2 octahedra, and edges with four equivalent O(10)Sr4MnFe octahedra. The corner-sharing octahedral tilt angles range from 1-60°. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to one Sr(4), one Ca(2), two equivalent Ca(1), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_Sr5Ca3Mn4(FeO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.770
_cell_length_b   7.770
_cell_length_c   7.754
_cell_angle_alpha   89.998
_cell_angle_beta   89.998
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   468.205
_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  0.749  0.251  0.251  1.0
  Sr  Sr1  1  0.251  0.251  0.251  1.0
  Sr  Sr2  1  0.749  0.749  0.251  1.0
  Sr  Sr3  1  0.251  0.749  0.251  1.0
  Sr  Sr4  1  0.749  0.749  0.749  1.0
  Ca  Ca5  1  0.749  0.251  0.749  1.0
  Ca  Ca6  1  0.251  0.251  0.749  1.0
  Ca  Ca7  1  0.251  0.749  0.749  1.0
  Mn  Mn8  1  0.499  0.001  0.502  1.0
  Mn  Mn9  1  0.499  0.499  0.998  1.0
  Mn  Mn10  1  0.001  0.499  0.502  1.0
  Mn  Mn11  1  0.499  0.499  0.502  1.0
  Fe  Fe12  1  0.001  0.001  0.998  1.0
  Fe  Fe13  1  0.499  0.001  0.998  1.0
  Fe  Fe14  1  0.001  0.001  0.502  1.0
  Fe  Fe15  1  0.001  0.499  0.998  1.0
  O  O16  1  0.001  0.247  0.994  1.0
  O  O17  1  0.499  0.254  0.994  1.0
  O  O18  1  0.001  0.254  0.506  1.0
  O  O19  1  0.500  0.251  0.507  1.0
  O  O20  1  0.003  0.753  0.996  1.0
  O  O21  1  0.497  0.746  0.996  1.0
  O  O22  1  0.003  0.746  0.504  1.0
  O  O23  1  0.497  0.749  0.504  1.0
  O  O24  1  0.001  0.001  0.247  1.0
  O  O25  1  0.499  0.001  0.254  1.0
  O  O26  1  0.003  0.003  0.753  1.0
  O  O27  1  0.497  0.003  0.746  1.0
  O  O28  1  0.001  0.499  0.254  1.0
  O  O29  1  0.500  0.500  0.251  1.0
  O  O30  1  0.003  0.497  0.746  1.0
  O  O31  1  0.497  0.497  0.749  1.0
  O  O32  1  0.753  0.003  0.996  1.0
  O  O33  1  0.247  0.001  0.994  1.0
  O  O34  1  0.746  0.003  0.504  1.0
  O  O35  1  0.254  0.001  0.506  1.0
  O  O36  1  0.746  0.497  0.996  1.0
  O  O37  1  0.254  0.499  0.994  1.0
  O  O38  1  0.749  0.497  0.504  1.0
  O  O39  1  0.251  0.500  0.507  1.0
[/CIF]
.
The structure described by Sr5Ca3Mn4(FeO6)4 is (Cubic) Perovskite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to one O(1), one O(13), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), one O(9), and two equivalent O(10) 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 Sr(3)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Fe(3)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(13), one O(9), two equivalent O(1), two equivalent O(10), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(3)O12 cuboctahedra, corners with eight equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Ca(2)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Fe(3)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(13), one O(9), two equivalent O(10), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(2)O12 cuboctahedra, corners with eight equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Fe(3)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to one O(11), one O(14), two equivalent O(12), two equivalent O(5), two equivalent O(6), two equivalent O(7), and two equivalent O(8) atoms to form SrO12 cuboctahedra that share corners with four equivalent Ca(2)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, faces with four equivalent Ca(1)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Fe(3)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(11), one O(14), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and two equivalent O(12) 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(1)O12 cuboctahedra, faces with two equivalent Sr(4)O12 cuboctahedra, faces with two equivalent Ca(2)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Fe(3)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. In the second Ca site, Ca(2) is bonded to one O(11), one O(14), two equivalent O(1), two equivalent O(12), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CaO12 cuboctahedra that share corners with four equivalent Sr(4)O12 cuboctahedra, corners with eight equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with four equivalent Ca(1)O12 cuboctahedra,  a faceface with one Mn(2)O6 octahedra,  a faceface with one Mn(3)O6 octahedra,  a faceface with one Fe(1)O6 octahedra,  a faceface with one Fe(3)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, and faces with two equivalent Fe(2)O6 octahedra. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(12), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra,  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(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the second Mn site, Mn(2) is bonded to one O(13), one O(14), two equivalent O(2), and two equivalent O(6) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  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(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third Mn site, Mn(3) is bonded to one O(13), one O(14), two equivalent O(4), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  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(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-3°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(9), two equivalent O(1), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Fe(3)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  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(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(5), and one O(6) 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(2)O12 cuboctahedra,  a faceface with one Sr(3)O12 cuboctahedra,  a faceface with one Sr(4)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third Fe site, Fe(3) is bonded to one O(11), one O(9), two equivalent O(3), and two equivalent O(7) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra,  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(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are fourteen 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 Fe(1), and one Fe(2) 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(2), and one Fe(2) atom. In the third O site, O(3) 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 Fe(3) atom. In the fourth O site, O(4) 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 fifth O site, O(5) is bonded to one Sr(1), one Sr(3), one Sr(4), one Ca(1), one Fe(1), and one Fe(2) atom to form distorted OSr3CaFe2 octahedra that share corners with two equivalent O(13)Sr4Mn2 octahedra, corners with two equivalent O(10)Sr4MnFe octahedra,  a faceface with one O(5)Sr3CaFe2 octahedra,  a faceface with one O(9)Sr4Fe2 octahedra, and  a faceface with one O(10)Sr4MnFe octahedra. The corner-sharing octahedral tilt angles range from 59-61°. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), one Sr(4), one Ca(1), one Mn(2), and one Fe(2) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), one Sr(4), one Ca(1), one Mn(1), and one Fe(3) atom. In the eighth O site, O(8) is bonded in a distorted linear geometry to one Sr(1), one Sr(3), one Sr(4), one Ca(1), one Mn(1), and one Mn(3) atom. In the ninth O site, O(9) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Fe(1), and one Fe(3) atom to form distorted OSr4Fe2 octahedra that share corners with four equivalent O(13)Sr4Mn2 octahedra, edges with four equivalent O(10)Sr4MnFe octahedra, and faces with two equivalent O(5)Sr3CaFe2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the tenth O site, O(10) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Mn(1), and one Fe(2) atom to form distorted OSr4MnFe octahedra that share corners with two equivalent O(5)Sr3CaFe2 octahedra, corners with four equivalent O(10)Sr4MnFe octahedra, edges with two equivalent O(9)Sr4Fe2 octahedra, edges with two equivalent O(13)Sr4Mn2 octahedra, and  a faceface with one O(5)Sr3CaFe2 octahedra. The corner-sharing octahedral tilt angles range from 1-61°. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one Sr(4), one Ca(2), two equivalent Ca(1), one Fe(1), and one Fe(3) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Sr(4), one Ca(2), two equivalent Ca(1), one Mn(1), and one Fe(2) atom. In the thirteenth O site, O(13) is bonded to one Sr(2), one Sr(3), two equivalent Sr(1), one Mn(2), and one Mn(3) atom to form distorted OSr4Mn2 octahedra that share corners with four equivalent O(5)Sr3CaFe2 octahedra, corners with four equivalent O(9)Sr4Fe2 octahedra, and edges with four equivalent O(10)Sr4MnFe octahedra. The corner-sharing octahedral tilt angles range from 1-60°. In the fourteenth O site, O(14) is bonded in a distorted linear geometry to one Sr(4), one Ca(2), two equivalent Ca(1), one Mn(2), and one Mn(3) atom. is represented by the CIF card [CIF]
data_Sr5Ca3Mn4(FeO6)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.770
_cell_length_b   7.770
_cell_length_c   7.754
_cell_angle_alpha   89.998
_cell_angle_beta   89.998
_cell_angle_gamma   89.998
_symmetry_Int_Tables_number   1
_cell_volume   468.205
_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  0.749  0.251  0.251  1.0
  Sr  Sr1  1  0.251  0.251  0.251  1.0
  Sr  Sr2  1  0.749  0.749  0.251  1.0
  Sr  Sr3  1  0.251  0.749  0.251  1.0
  Sr  Sr4  1  0.749  0.749  0.749  1.0
  Ca  Ca5  1  0.749  0.251  0.749  1.0
  Ca  Ca6  1  0.251  0.251  0.749  1.0
  Ca  Ca7  1  0.251  0.749  0.749  1.0
  Mn  Mn8  1  0.499  0.001  0.502  1.0
  Mn  Mn9  1  0.499  0.499  0.998  1.0
  Mn  Mn10  1  0.001  0.499  0.502  1.0
  Mn  Mn11  1  0.499  0.499  0.502  1.0
  Fe  Fe12  1  0.001  0.001  0.998  1.0
  Fe  Fe13  1  0.499  0.001  0.998  1.0
  Fe  Fe14  1  0.001  0.001  0.502  1.0
  Fe  Fe15  1  0.001  0.499  0.998  1.0
  O  O16  1  0.001  0.247  0.994  1.0
  O  O17  1  0.499  0.254  0.994  1.0
  O  O18  1  0.001  0.254  0.506  1.0
  O  O19  1  0.500  0.251  0.507  1.0
  O  O20  1  0.003  0.753  0.996  1.0
  O  O21  1  0.497  0.746  0.996  1.0
  O  O22  1  0.003  0.746  0.504  1.0
  O  O23  1  0.497  0.749  0.504  1.0
  O  O24  1  0.001  0.001  0.247  1.0
  O  O25  1  0.499  0.001  0.254  1.0
  O  O26  1  0.003  0.003  0.753  1.0
  O  O27  1  0.497  0.003  0.746  1.0
  O  O28  1  0.001  0.499  0.254  1.0
  O  O29  1  0.500  0.500  0.251  1.0
  O  O30  1  0.003  0.497  0.746  1.0
  O  O31  1  0.497  0.497  0.749  1.0
  O  O32  1  0.753  0.003  0.996  1.0
  O  O33  1  0.247  0.001  0.994  1.0
  O  O34  1  0.746  0.003  0.504  1.0
  O  O35  1  0.254  0.001  0.506  1.0
  O  O36  1  0.746  0.497  0.996  1.0
  O  O37  1  0.254  0.499  0.994  1.0
  O  O38  1  0.749  0.497  0.504  1.0
  O  O39  1  0.251  0.500  0.507  1.0
[/CIF]
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