The compound described by Sr2Ca2TiMn3O12 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 Ti(1)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with two equivalent Mn(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 Ti(1)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with two equivalent Mn(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 Ti(1)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with two equivalent Mn(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 Ti(1)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with two equivalent Mn(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 Ti(1)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with two equivalent Mn(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 Ti(1)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with two equivalent Mn(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 Ti(1)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with two equivalent Mn(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 Ti(1)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with two equivalent Mn(3)O6 octahedra. Ti(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 TiO6 octahedra that share corners with two equivalent Ti(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 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 Mn sites. In the first Mn site, Mn(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 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 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 0-3°. In the second Mn site, Mn(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 MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(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 0-3°. In the third Mn site, Mn(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 MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Mn(1)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 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 0-3°. 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 Mn(1) atoms to form distorted OSr2Ca2Mn2 octahedra that share corners with two equivalent O(5)Sr2Ca2Mn2 octahedra and faces with two equivalent O(9)Sr3CaMn2 octahedra. The corner-sharing octahedral tilt angles are 1°. 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), and two equivalent Mn(2) atoms. 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), and two equivalent Mn(3) atoms. 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 Ti(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 Mn(1) atoms to form distorted OSr2Ca2Mn2 octahedra that share corners with two equivalent O(1)Sr2Ca2Mn2 octahedra and faces with two equivalent O(9)Sr3CaMn2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), one Ca(3), one Ca(4), and two equivalent Mn(2) atoms. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), one Ca(3), one Ca(4), and two equivalent Mn(3) atoms. 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 Ti(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 Mn(1), and one Mn(3) atom to form distorted OSr3CaMn2 octahedra that share edges with two equivalent O(9)Sr3CaMn2 octahedra,  a faceface with one O(1)Sr2Ca2Mn2 octahedra, and  a faceface with one O(5)Sr2Ca2Mn2 octahedra. 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 Ti(1), and one Mn(2) atom. In the eleventh O site, O(11) 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 Mn(3) atom. 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 Ti(1), and one Mn(2) atom. In the thirteenth O site, O(13) 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 Mn(2) atom. In the fourteenth O site, O(14) 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 Mn(2) atom. 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 Ti(1), and one Mn(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 Ti(1), and one Mn(3) atom. is represented by the CIF file [CIF]
data_Sr2Ca2TiMn3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.751
_cell_length_b   7.715
_cell_length_c   7.717
_cell_angle_alpha   89.953
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   461.420
_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  0.000  0.247  0.754  1.0
  Sr  Sr1  1  0.000  0.753  0.754  1.0
  Sr  Sr2  1  0.500  0.753  0.754  1.0
  Sr  Sr3  1  0.500  0.247  0.246  1.0
  Ca  Ca4  1  0.000  0.245  0.245  1.0
  Ca  Ca5  1  0.000  0.755  0.245  1.0
  Ca  Ca6  1  0.500  0.246  0.754  1.0
  Ca  Ca7  1  0.500  0.754  0.245  1.0
  Ti  Ti8  1  0.250  0.500  0.497  1.0
  Ti  Ti9  1  0.750  0.500  0.497  1.0
  Mn  Mn10  1  0.250  0.000  0.001  1.0
  Mn  Mn11  1  0.250  0.500  0.001  1.0
  Mn  Mn12  1  0.250  0.000  0.498  1.0
  Mn  Mn13  1  0.750  0.000  0.001  1.0
  Mn  Mn14  1  0.750  0.500  0.001  1.0
  Mn  Mn15  1  0.750  0.000  0.498  1.0
  O  O16  1  0.000  0.000  0.007  1.0
  O  O17  1  0.000  0.500  0.007  1.0
  O  O18  1  0.000  0.000  0.493  1.0
  O  O19  1  0.000  0.500  0.496  1.0
  O  O20  1  0.500  1.000  0.001  1.0
  O  O21  1  0.500  0.500  0.001  1.0
  O  O22  1  0.500  1.000  0.499  1.0
  O  O23  1  0.500  0.500  0.499  1.0
  O  O24  1  0.253  0.003  0.750  1.0
  O  O25  1  0.252  0.498  0.753  1.0
  O  O26  1  0.247  0.997  0.250  1.0
  O  O27  1  0.248  0.502  0.247  1.0
  O  O28  1  0.747  0.003  0.750  1.0
  O  O29  1  0.748  0.498  0.753  1.0
  O  O30  1  0.753  0.997  0.250  1.0
  O  O31  1  0.752  0.502  0.247  1.0
  O  O32  1  0.250  0.250  0.001  1.0
  O  O33  1  0.250  0.750  0.007  1.0
  O  O34  1  0.250  0.247  0.499  1.0
  O  O35  1  0.250  0.753  0.495  1.0
  O  O36  1  0.750  0.250  0.001  1.0
  O  O37  1  0.750  0.750  0.007  1.0
  O  O38  1  0.750  0.247  0.499  1.0
  O  O39  1  0.750  0.753  0.495  1.0
[/CIF]
.
The compound described by Sr2Ca2TiMn3O12 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 Ti(1)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with two equivalent Mn(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 Ti(1)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with two equivalent Mn(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 Ti(1)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with two equivalent Mn(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 Ti(1)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with two equivalent Mn(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 Ti(1)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with two equivalent Mn(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 Ti(1)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with two equivalent Mn(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 Ti(1)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with two equivalent Mn(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 Ti(1)O6 octahedra, faces with two equivalent Mn(1)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, and faces with two equivalent Mn(3)O6 octahedra. Ti(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 TiO6 octahedra that share corners with two equivalent Ti(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 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 Mn sites. In the first Mn site, Mn(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 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 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 0-3°. In the second Mn site, Mn(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 MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(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 0-3°. In the third Mn site, Mn(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 MnO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Mn(1)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 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 0-3°. 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 Mn(1) atoms to form distorted OSr2Ca2Mn2 octahedra that share corners with two equivalent O(5)Sr2Ca2Mn2 octahedra and faces with two equivalent O(9)Sr3CaMn2 octahedra. The corner-sharing octahedral tilt angles are 1°. 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), and two equivalent Mn(2) atoms. 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), and two equivalent Mn(3) atoms. 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 Ti(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 Mn(1) atoms to form distorted OSr2Ca2Mn2 octahedra that share corners with two equivalent O(1)Sr2Ca2Mn2 octahedra and faces with two equivalent O(9)Sr3CaMn2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the sixth O site, O(6) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), one Ca(3), one Ca(4), and two equivalent Mn(2) atoms. In the seventh O site, O(7) is bonded in a distorted linear geometry to one Sr(3), one Sr(4), one Ca(3), one Ca(4), and two equivalent Mn(3) atoms. 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 Ti(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 Mn(1), and one Mn(3) atom to form distorted OSr3CaMn2 octahedra that share edges with two equivalent O(9)Sr3CaMn2 octahedra,  a faceface with one O(1)Sr2Ca2Mn2 octahedra, and  a faceface with one O(5)Sr2Ca2Mn2 octahedra. 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 Ti(1), and one Mn(2) atom. In the eleventh O site, O(11) 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 Mn(3) atom. 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 Ti(1), and one Mn(2) atom. In the thirteenth O site, O(13) 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 Mn(2) atom. In the fourteenth O site, O(14) 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 Mn(2) atom. 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 Ti(1), and one Mn(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 Ti(1), and one Mn(3) atom. is represented by the CIF file [CIF]
data_Sr2Ca2TiMn3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.751
_cell_length_b   7.715
_cell_length_c   7.717
_cell_angle_alpha   89.953
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   461.420
_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  0.000  0.247  0.754  1.0
  Sr  Sr1  1  0.000  0.753  0.754  1.0
  Sr  Sr2  1  0.500  0.753  0.754  1.0
  Sr  Sr3  1  0.500  0.247  0.246  1.0
  Ca  Ca4  1  0.000  0.245  0.245  1.0
  Ca  Ca5  1  0.000  0.755  0.245  1.0
  Ca  Ca6  1  0.500  0.246  0.754  1.0
  Ca  Ca7  1  0.500  0.754  0.245  1.0
  Ti  Ti8  1  0.250  0.500  0.497  1.0
  Ti  Ti9  1  0.750  0.500  0.497  1.0
  Mn  Mn10  1  0.250  0.000  0.001  1.0
  Mn  Mn11  1  0.250  0.500  0.001  1.0
  Mn  Mn12  1  0.250  0.000  0.498  1.0
  Mn  Mn13  1  0.750  0.000  0.001  1.0
  Mn  Mn14  1  0.750  0.500  0.001  1.0
  Mn  Mn15  1  0.750  0.000  0.498  1.0
  O  O16  1  0.000  0.000  0.007  1.0
  O  O17  1  0.000  0.500  0.007  1.0
  O  O18  1  0.000  0.000  0.493  1.0
  O  O19  1  0.000  0.500  0.496  1.0
  O  O20  1  0.500  1.000  0.001  1.0
  O  O21  1  0.500  0.500  0.001  1.0
  O  O22  1  0.500  1.000  0.499  1.0
  O  O23  1  0.500  0.500  0.499  1.0
  O  O24  1  0.253  0.003  0.750  1.0
  O  O25  1  0.252  0.498  0.753  1.0
  O  O26  1  0.247  0.997  0.250  1.0
  O  O27  1  0.248  0.502  0.247  1.0
  O  O28  1  0.747  0.003  0.750  1.0
  O  O29  1  0.748  0.498  0.753  1.0
  O  O30  1  0.753  0.997  0.250  1.0
  O  O31  1  0.752  0.502  0.247  1.0
  O  O32  1  0.250  0.250  0.001  1.0
  O  O33  1  0.250  0.750  0.007  1.0
  O  O34  1  0.250  0.247  0.499  1.0
  O  O35  1  0.250  0.753  0.495  1.0
  O  O36  1  0.750  0.250  0.001  1.0
  O  O37  1  0.750  0.750  0.007  1.0
  O  O38  1  0.750  0.247  0.499  1.0
  O  O39  1  0.750  0.753  0.495  1.0
[/CIF]
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