The compound described by Sr2Ca2Mn(FeO4)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(1), one O(2), one O(3), one O(4), two equivalent O(10), two equivalent O(13), two equivalent O(15), and two equivalent O(9) 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 Mn(1)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(1), one O(2), one O(3), one O(4), two equivalent O(10), two equivalent O(14), two equivalent O(16), and two equivalent O(9) 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 Mn(1)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(5), one O(6), one O(7), one O(8), two equivalent O(10), two equivalent O(14), two equivalent O(16), and two equivalent O(9) 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 Mn(1)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to one O(5), one O(6), one O(7), one O(8), two equivalent O(11), two equivalent O(12), two equivalent O(13), and two equivalent O(15) 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 Mn(1)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(2), one O(3), one O(4), two equivalent O(11), two equivalent O(12), two equivalent O(13), and two equivalent O(15) 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 Mn(1)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. In the second Ca site, Ca(2) is bonded to one O(1), one O(2), one O(3), one O(4), two equivalent O(11), two equivalent O(12), two equivalent O(14), and two equivalent O(16) 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 Mn(1)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. In the third Ca site, Ca(3) is bonded to one O(5), one O(6), one O(7), one O(8), two equivalent O(10), two equivalent O(13), two equivalent O(15), and two equivalent O(9) 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 Mn(1)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(5), one O(6), one O(7), one O(8), two equivalent O(11), two equivalent O(12), two equivalent O(14), and two equivalent O(16) 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 Mn(1)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. Mn(1) is bonded to one O(10), one O(12), one O(15), one O(16), one O(4), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(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°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(13), one O(14), one O(5), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(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 Fe site, Fe(2) is bonded to one O(10), one O(12), one O(13), one O(14), one O(2), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(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 0-1°. In the third Fe site, Fe(3) is bonded to one O(11), one O(15), one O(16), one O(3), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(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°. 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), and two equivalent Fe(1) atoms to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(5)Sr2Ca2Fe2 octahedra, edges with two equivalent O(2)Sr2Ca2Fe2 octahedra, edges with two equivalent O(3)Sr2Ca2Fe2 octahedra, faces with two equivalent O(13)Sr2Ca2Fe2 octahedra, faces with two equivalent O(14)Sr2Ca2Fe2 octahedra, faces with two equivalent O(9)Sr3CaFe2 octahedra, and faces with two equivalent O(11)SrCa3Fe2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), one Ca(1), one Ca(2), and two equivalent Fe(2) atoms to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(6)Sr2Ca2Fe2 octahedra, corners with four equivalent O(3)Sr2Ca2Fe2 octahedra, corners with four equivalent O(9)Sr3CaFe2 octahedra, corners with four equivalent O(11)SrCa3Fe2 octahedra, edges with two equivalent O(1)Sr2Ca2Fe2 octahedra, faces with two equivalent O(13)Sr2Ca2Fe2 octahedra, and faces with two equivalent O(14)Sr2Ca2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), one Ca(1), one Ca(2), and two equivalent Fe(3) atoms to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(7)Sr2Ca2Fe2 octahedra, corners with four equivalent O(13)Sr2Ca2Fe2 octahedra, corners with four equivalent O(14)Sr2Ca2Fe2 octahedra, corners with four equivalent O(2)Sr2Ca2Fe2 octahedra, edges with two equivalent O(1)Sr2Ca2Fe2 octahedra, faces with two equivalent O(9)Sr3CaFe2 octahedra, and faces with two equivalent O(11)SrCa3Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. 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), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded to one Sr(3), one Sr(4), one Ca(3), one Ca(4), and two equivalent Fe(1) atoms to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(1)Sr2Ca2Fe2 octahedra, edges with two equivalent O(6)Sr2Ca2Fe2 octahedra, edges with two equivalent O(7)Sr2Ca2Fe2 octahedra, faces with two equivalent O(13)Sr2Ca2Fe2 octahedra, faces with two equivalent O(14)Sr2Ca2Fe2 octahedra, faces with two equivalent O(9)Sr3CaFe2 octahedra, and faces with two equivalent O(11)SrCa3Fe2 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to one Sr(3), one Sr(4), one Ca(3), one Ca(4), and two equivalent Fe(2) atoms to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(2)Sr2Ca2Fe2 octahedra, corners with four equivalent O(7)Sr2Ca2Fe2 octahedra, corners with four equivalent O(9)Sr3CaFe2 octahedra, corners with four equivalent O(11)SrCa3Fe2 octahedra, edges with two equivalent O(5)Sr2Ca2Fe2 octahedra, faces with two equivalent O(13)Sr2Ca2Fe2 octahedra, and faces with two equivalent O(14)Sr2Ca2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the seventh O site, O(7) is bonded to one Sr(3), one Sr(4), one Ca(3), one Ca(4), and two equivalent Fe(3) atoms to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(3)Sr2Ca2Fe2 octahedra, corners with four equivalent O(13)Sr2Ca2Fe2 octahedra, corners with four equivalent O(14)Sr2Ca2Fe2 octahedra, corners with four equivalent O(6)Sr2Ca2Fe2 octahedra, edges with two equivalent O(5)Sr2Ca2Fe2 octahedra, faces with two equivalent O(9)Sr3CaFe2 octahedra, and faces with two equivalent O(11)SrCa3Fe2 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(3), one Sr(4), one Ca(3), one Ca(4), and two equivalent Mn(1) atoms. In the ninth O site, O(9) is bonded to one Sr(1), one Sr(2), one Sr(3), one Ca(3), one Fe(1), and one Fe(3) atom to form distorted OSr3CaFe2 octahedra that share corners with two equivalent O(13)Sr2Ca2Fe2 octahedra, corners with two equivalent O(14)Sr2Ca2Fe2 octahedra, corners with two equivalent O(2)Sr2Ca2Fe2 octahedra, corners with two equivalent O(6)Sr2Ca2Fe2 octahedra, corners with two equivalent O(11)SrCa3Fe2 octahedra, edges with two equivalent O(9)Sr3CaFe2 octahedra,  a faceface with one O(1)Sr2Ca2Fe2 octahedra,  a faceface with one O(13)Sr2Ca2Fe2 octahedra,  a faceface with one O(14)Sr2Ca2Fe2 octahedra,  a faceface with one O(3)Sr2Ca2Fe2 octahedra,  a faceface with one O(5)Sr2Ca2Fe2 octahedra, and  a faceface with one O(7)Sr2Ca2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), one Sr(3), one Ca(3), one Mn(1), and one Fe(2) atom. In the eleventh O site, O(11) is bonded to one Sr(4), one Ca(1), one Ca(2), one Ca(4), one Fe(1), and one Fe(3) atom to form distorted OSrCa3Fe2 octahedra that share corners with two equivalent O(13)Sr2Ca2Fe2 octahedra, corners with two equivalent O(14)Sr2Ca2Fe2 octahedra, corners with two equivalent O(2)Sr2Ca2Fe2 octahedra, corners with two equivalent O(6)Sr2Ca2Fe2 octahedra, corners with two equivalent O(9)Sr3CaFe2 octahedra, edges with two equivalent O(11)SrCa3Fe2 octahedra,  a faceface with one O(1)Sr2Ca2Fe2 octahedra,  a faceface with one O(13)Sr2Ca2Fe2 octahedra,  a faceface with one O(14)Sr2Ca2Fe2 octahedra,  a faceface with one O(3)Sr2Ca2Fe2 octahedra,  a faceface with one O(5)Sr2Ca2Fe2 octahedra, and  a faceface with one O(7)Sr2Ca2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Sr(4), one Ca(1), one Ca(2), one Ca(4), one Mn(1), and one Fe(2) atom. In the thirteenth O site, O(13) is bonded to one Sr(1), one Sr(4), one Ca(1), one Ca(3), one Fe(1), and one Fe(2) atom to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(14)Sr2Ca2Fe2 octahedra, corners with two equivalent O(3)Sr2Ca2Fe2 octahedra, corners with two equivalent O(7)Sr2Ca2Fe2 octahedra, corners with two equivalent O(9)Sr3CaFe2 octahedra, corners with two equivalent O(11)SrCa3Fe2 octahedra, edges with two equivalent O(13)Sr2Ca2Fe2 octahedra,  a faceface with one O(1)Sr2Ca2Fe2 octahedra,  a faceface with one O(2)Sr2Ca2Fe2 octahedra,  a faceface with one O(5)Sr2Ca2Fe2 octahedra,  a faceface with one O(6)Sr2Ca2Fe2 octahedra,  a faceface with one O(9)Sr3CaFe2 octahedra, and  a faceface with one O(11)SrCa3Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the fourteenth O site, O(14) is bonded to one Sr(2), one Sr(3), one Ca(2), one Ca(4), one Fe(1), and one Fe(2) atom to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(13)Sr2Ca2Fe2 octahedra, corners with two equivalent O(3)Sr2Ca2Fe2 octahedra, corners with two equivalent O(7)Sr2Ca2Fe2 octahedra, corners with two equivalent O(9)Sr3CaFe2 octahedra, corners with two equivalent O(11)SrCa3Fe2 octahedra, edges with two equivalent O(14)Sr2Ca2Fe2 octahedra,  a faceface with one O(1)Sr2Ca2Fe2 octahedra,  a faceface with one O(2)Sr2Ca2Fe2 octahedra,  a faceface with one O(5)Sr2Ca2Fe2 octahedra,  a faceface with one O(6)Sr2Ca2Fe2 octahedra,  a faceface with one O(9)Sr3CaFe2 octahedra, and  a faceface with one O(11)SrCa3Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fifteenth O site, O(15) is bonded in a distorted linear geometry to one Sr(1), one Sr(4), one Ca(1), one Ca(3), one Mn(1), and one Fe(3) atom. In the sixteenth O site, O(16) is bonded in a distorted linear geometry to one Sr(2), one Sr(3), one Ca(2), one Ca(4), one Mn(1), and one Fe(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Ca2Mn(FeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.735
_cell_length_b   7.750
_cell_length_c   7.750
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   464.619
_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  0.250  0.250  1.0
  Sr  Sr1  1  0.500  0.750  0.250  1.0
  Sr  Sr2  1  0.000  0.750  0.250  1.0
  Sr  Sr3  1  0.000  0.250  0.750  1.0
  Ca  Ca4  1  0.500  0.250  0.750  1.0
  Ca  Ca5  1  0.500  0.750  0.750  1.0
  Ca  Ca6  1  0.000  0.250  0.250  1.0
  Ca  Ca7  1  0.000  0.750  0.750  1.0
  Mn  Mn8  1  0.250  0.500  0.501  1.0
  Mn  Mn9  1  0.750  0.500  0.501  1.0
  Fe  Fe10  1  0.250  0.000  0.999  1.0
  Fe  Fe11  1  0.250  0.500  0.999  1.0
  Fe  Fe12  1  0.250  0.000  0.501  1.0
  Fe  Fe13  1  0.750  0.000  0.999  1.0
  Fe  Fe14  1  0.750  0.500  0.999  1.0
  Fe  Fe15  1  0.750  0.000  0.501  1.0
  O  O16  1  0.500  0.000  0.997  1.0
  O  O17  1  0.500  0.500  0.998  1.0
  O  O18  1  0.500  0.000  0.503  1.0
  O  O19  1  0.500  0.500  0.503  1.0
  O  O20  1  0.000  1.000  1.000  1.0
  O  O21  1  0.000  0.500  1.000  1.0
  O  O22  1  0.000  1.000  0.500  1.0
  O  O23  1  0.000  0.500  0.500  1.0
  O  O24  1  0.249  0.001  0.249  1.0
  O  O25  1  0.249  0.499  0.252  1.0
  O  O26  1  0.251  0.999  0.751  1.0
  O  O27  1  0.251  0.501  0.748  1.0
  O  O28  1  0.751  0.001  0.249  1.0
  O  O29  1  0.751  0.499  0.252  1.0
  O  O30  1  0.749  0.999  0.751  1.0
  O  O31  1  0.749  0.501  0.748  1.0
  O  O32  1  0.250  0.249  1.000  1.0
  O  O33  1  0.250  0.751  0.997  1.0
  O  O34  1  0.250  0.252  0.500  1.0
  O  O35  1  0.250  0.748  0.503  1.0
  O  O36  1  0.750  0.249  1.000  1.0
  O  O37  1  0.750  0.751  0.997  1.0
  O  O38  1  0.750  0.252  0.500  1.0
  O  O39  1  0.750  0.748  0.503  1.0
[/CIF]
.
The compound described by Sr2Ca2Mn(FeO4)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(1), one O(2), one O(3), one O(4), two equivalent O(10), two equivalent O(13), two equivalent O(15), and two equivalent O(9) 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 Mn(1)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. In the second Sr site, Sr(2) is bonded to one O(1), one O(2), one O(3), one O(4), two equivalent O(10), two equivalent O(14), two equivalent O(16), and two equivalent O(9) 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 Mn(1)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. In the third Sr site, Sr(3) is bonded to one O(5), one O(6), one O(7), one O(8), two equivalent O(10), two equivalent O(14), two equivalent O(16), and two equivalent O(9) 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 Mn(1)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. In the fourth Sr site, Sr(4) is bonded to one O(5), one O(6), one O(7), one O(8), two equivalent O(11), two equivalent O(12), two equivalent O(13), and two equivalent O(15) 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 Mn(1)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. There are four inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to one O(1), one O(2), one O(3), one O(4), two equivalent O(11), two equivalent O(12), two equivalent O(13), and two equivalent O(15) 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 Mn(1)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. In the second Ca site, Ca(2) is bonded to one O(1), one O(2), one O(3), one O(4), two equivalent O(11), two equivalent O(12), two equivalent O(14), and two equivalent O(16) 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 Mn(1)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. In the third Ca site, Ca(3) is bonded to one O(5), one O(6), one O(7), one O(8), two equivalent O(10), two equivalent O(13), two equivalent O(15), and two equivalent O(9) 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 Mn(1)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. In the fourth Ca site, Ca(4) is bonded to one O(5), one O(6), one O(7), one O(8), two equivalent O(11), two equivalent O(12), two equivalent O(14), and two equivalent O(16) 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 Mn(1)O6 octahedra, faces with two equivalent Fe(1)O6 octahedra, faces with two equivalent Fe(2)O6 octahedra, and faces with two equivalent Fe(3)O6 octahedra. Mn(1) is bonded to one O(10), one O(12), one O(15), one O(16), one O(4), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(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°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(13), one O(14), one O(5), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Fe(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 Fe site, Fe(2) is bonded to one O(10), one O(12), one O(13), one O(14), one O(2), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(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 0-1°. In the third Fe site, Fe(3) is bonded to one O(11), one O(15), one O(16), one O(3), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(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°. 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), and two equivalent Fe(1) atoms to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(5)Sr2Ca2Fe2 octahedra, edges with two equivalent O(2)Sr2Ca2Fe2 octahedra, edges with two equivalent O(3)Sr2Ca2Fe2 octahedra, faces with two equivalent O(13)Sr2Ca2Fe2 octahedra, faces with two equivalent O(14)Sr2Ca2Fe2 octahedra, faces with two equivalent O(9)Sr3CaFe2 octahedra, and faces with two equivalent O(11)SrCa3Fe2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to one Sr(1), one Sr(2), one Ca(1), one Ca(2), and two equivalent Fe(2) atoms to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(6)Sr2Ca2Fe2 octahedra, corners with four equivalent O(3)Sr2Ca2Fe2 octahedra, corners with four equivalent O(9)Sr3CaFe2 octahedra, corners with four equivalent O(11)SrCa3Fe2 octahedra, edges with two equivalent O(1)Sr2Ca2Fe2 octahedra, faces with two equivalent O(13)Sr2Ca2Fe2 octahedra, and faces with two equivalent O(14)Sr2Ca2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the third O site, O(3) is bonded to one Sr(1), one Sr(2), one Ca(1), one Ca(2), and two equivalent Fe(3) atoms to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(7)Sr2Ca2Fe2 octahedra, corners with four equivalent O(13)Sr2Ca2Fe2 octahedra, corners with four equivalent O(14)Sr2Ca2Fe2 octahedra, corners with four equivalent O(2)Sr2Ca2Fe2 octahedra, edges with two equivalent O(1)Sr2Ca2Fe2 octahedra, faces with two equivalent O(9)Sr3CaFe2 octahedra, and faces with two equivalent O(11)SrCa3Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. 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), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded to one Sr(3), one Sr(4), one Ca(3), one Ca(4), and two equivalent Fe(1) atoms to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(1)Sr2Ca2Fe2 octahedra, edges with two equivalent O(6)Sr2Ca2Fe2 octahedra, edges with two equivalent O(7)Sr2Ca2Fe2 octahedra, faces with two equivalent O(13)Sr2Ca2Fe2 octahedra, faces with two equivalent O(14)Sr2Ca2Fe2 octahedra, faces with two equivalent O(9)Sr3CaFe2 octahedra, and faces with two equivalent O(11)SrCa3Fe2 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to one Sr(3), one Sr(4), one Ca(3), one Ca(4), and two equivalent Fe(2) atoms to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(2)Sr2Ca2Fe2 octahedra, corners with four equivalent O(7)Sr2Ca2Fe2 octahedra, corners with four equivalent O(9)Sr3CaFe2 octahedra, corners with four equivalent O(11)SrCa3Fe2 octahedra, edges with two equivalent O(5)Sr2Ca2Fe2 octahedra, faces with two equivalent O(13)Sr2Ca2Fe2 octahedra, and faces with two equivalent O(14)Sr2Ca2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the seventh O site, O(7) is bonded to one Sr(3), one Sr(4), one Ca(3), one Ca(4), and two equivalent Fe(3) atoms to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(3)Sr2Ca2Fe2 octahedra, corners with four equivalent O(13)Sr2Ca2Fe2 octahedra, corners with four equivalent O(14)Sr2Ca2Fe2 octahedra, corners with four equivalent O(6)Sr2Ca2Fe2 octahedra, edges with two equivalent O(5)Sr2Ca2Fe2 octahedra, faces with two equivalent O(9)Sr3CaFe2 octahedra, and faces with two equivalent O(11)SrCa3Fe2 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(3), one Sr(4), one Ca(3), one Ca(4), and two equivalent Mn(1) atoms. In the ninth O site, O(9) is bonded to one Sr(1), one Sr(2), one Sr(3), one Ca(3), one Fe(1), and one Fe(3) atom to form distorted OSr3CaFe2 octahedra that share corners with two equivalent O(13)Sr2Ca2Fe2 octahedra, corners with two equivalent O(14)Sr2Ca2Fe2 octahedra, corners with two equivalent O(2)Sr2Ca2Fe2 octahedra, corners with two equivalent O(6)Sr2Ca2Fe2 octahedra, corners with two equivalent O(11)SrCa3Fe2 octahedra, edges with two equivalent O(9)Sr3CaFe2 octahedra,  a faceface with one O(1)Sr2Ca2Fe2 octahedra,  a faceface with one O(13)Sr2Ca2Fe2 octahedra,  a faceface with one O(14)Sr2Ca2Fe2 octahedra,  a faceface with one O(3)Sr2Ca2Fe2 octahedra,  a faceface with one O(5)Sr2Ca2Fe2 octahedra, and  a faceface with one O(7)Sr2Ca2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the tenth O site, O(10) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), one Sr(3), one Ca(3), one Mn(1), and one Fe(2) atom. In the eleventh O site, O(11) is bonded to one Sr(4), one Ca(1), one Ca(2), one Ca(4), one Fe(1), and one Fe(3) atom to form distorted OSrCa3Fe2 octahedra that share corners with two equivalent O(13)Sr2Ca2Fe2 octahedra, corners with two equivalent O(14)Sr2Ca2Fe2 octahedra, corners with two equivalent O(2)Sr2Ca2Fe2 octahedra, corners with two equivalent O(6)Sr2Ca2Fe2 octahedra, corners with two equivalent O(9)Sr3CaFe2 octahedra, edges with two equivalent O(11)SrCa3Fe2 octahedra,  a faceface with one O(1)Sr2Ca2Fe2 octahedra,  a faceface with one O(13)Sr2Ca2Fe2 octahedra,  a faceface with one O(14)Sr2Ca2Fe2 octahedra,  a faceface with one O(3)Sr2Ca2Fe2 octahedra,  a faceface with one O(5)Sr2Ca2Fe2 octahedra, and  a faceface with one O(7)Sr2Ca2Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Sr(4), one Ca(1), one Ca(2), one Ca(4), one Mn(1), and one Fe(2) atom. In the thirteenth O site, O(13) is bonded to one Sr(1), one Sr(4), one Ca(1), one Ca(3), one Fe(1), and one Fe(2) atom to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(14)Sr2Ca2Fe2 octahedra, corners with two equivalent O(3)Sr2Ca2Fe2 octahedra, corners with two equivalent O(7)Sr2Ca2Fe2 octahedra, corners with two equivalent O(9)Sr3CaFe2 octahedra, corners with two equivalent O(11)SrCa3Fe2 octahedra, edges with two equivalent O(13)Sr2Ca2Fe2 octahedra,  a faceface with one O(1)Sr2Ca2Fe2 octahedra,  a faceface with one O(2)Sr2Ca2Fe2 octahedra,  a faceface with one O(5)Sr2Ca2Fe2 octahedra,  a faceface with one O(6)Sr2Ca2Fe2 octahedra,  a faceface with one O(9)Sr3CaFe2 octahedra, and  a faceface with one O(11)SrCa3Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the fourteenth O site, O(14) is bonded to one Sr(2), one Sr(3), one Ca(2), one Ca(4), one Fe(1), and one Fe(2) atom to form distorted OSr2Ca2Fe2 octahedra that share corners with two equivalent O(13)Sr2Ca2Fe2 octahedra, corners with two equivalent O(3)Sr2Ca2Fe2 octahedra, corners with two equivalent O(7)Sr2Ca2Fe2 octahedra, corners with two equivalent O(9)Sr3CaFe2 octahedra, corners with two equivalent O(11)SrCa3Fe2 octahedra, edges with two equivalent O(14)Sr2Ca2Fe2 octahedra,  a faceface with one O(1)Sr2Ca2Fe2 octahedra,  a faceface with one O(2)Sr2Ca2Fe2 octahedra,  a faceface with one O(5)Sr2Ca2Fe2 octahedra,  a faceface with one O(6)Sr2Ca2Fe2 octahedra,  a faceface with one O(9)Sr3CaFe2 octahedra, and  a faceface with one O(11)SrCa3Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the fifteenth O site, O(15) is bonded in a distorted linear geometry to one Sr(1), one Sr(4), one Ca(1), one Ca(3), one Mn(1), and one Fe(3) atom. In the sixteenth O site, O(16) is bonded in a distorted linear geometry to one Sr(2), one Sr(3), one Ca(2), one Ca(4), one Mn(1), and one Fe(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Sr2Ca2Mn(FeO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.735
_cell_length_b   7.750
_cell_length_c   7.750
_cell_angle_alpha   89.999
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   464.619
_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  0.250  0.250  1.0
  Sr  Sr1  1  0.500  0.750  0.250  1.0
  Sr  Sr2  1  0.000  0.750  0.250  1.0
  Sr  Sr3  1  0.000  0.250  0.750  1.0
  Ca  Ca4  1  0.500  0.250  0.750  1.0
  Ca  Ca5  1  0.500  0.750  0.750  1.0
  Ca  Ca6  1  0.000  0.250  0.250  1.0
  Ca  Ca7  1  0.000  0.750  0.750  1.0
  Mn  Mn8  1  0.250  0.500  0.501  1.0
  Mn  Mn9  1  0.750  0.500  0.501  1.0
  Fe  Fe10  1  0.250  0.000  0.999  1.0
  Fe  Fe11  1  0.250  0.500  0.999  1.0
  Fe  Fe12  1  0.250  0.000  0.501  1.0
  Fe  Fe13  1  0.750  0.000  0.999  1.0
  Fe  Fe14  1  0.750  0.500  0.999  1.0
  Fe  Fe15  1  0.750  0.000  0.501  1.0
  O  O16  1  0.500  0.000  0.997  1.0
  O  O17  1  0.500  0.500  0.998  1.0
  O  O18  1  0.500  0.000  0.503  1.0
  O  O19  1  0.500  0.500  0.503  1.0
  O  O20  1  0.000  1.000  1.000  1.0
  O  O21  1  0.000  0.500  1.000  1.0
  O  O22  1  0.000  1.000  0.500  1.0
  O  O23  1  0.000  0.500  0.500  1.0
  O  O24  1  0.249  0.001  0.249  1.0
  O  O25  1  0.249  0.499  0.252  1.0
  O  O26  1  0.251  0.999  0.751  1.0
  O  O27  1  0.251  0.501  0.748  1.0
  O  O28  1  0.751  0.001  0.249  1.0
  O  O29  1  0.751  0.499  0.252  1.0
  O  O30  1  0.749  0.999  0.751  1.0
  O  O31  1  0.749  0.501  0.748  1.0
  O  O32  1  0.250  0.249  1.000  1.0
  O  O33  1  0.250  0.751  0.997  1.0
  O  O34  1  0.250  0.252  0.500  1.0
  O  O35  1  0.250  0.748  0.503  1.0
  O  O36  1  0.750  0.249  1.000  1.0
  O  O37  1  0.750  0.751  0.997  1.0
  O  O38  1  0.750  0.252  0.500  1.0
  O  O39  1  0.750  0.748  0.503  1.0
[/CIF]
.