The compound described by Sr3CaTiMn3O12 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Pma2 space group. There are three 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(5), two equivalent O(6), and two equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Sr(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 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(5), two equivalent O(6), and two equivalent O(9) 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(3)O12 cuboctahedra, faces with four equivalent Sr(1)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(1), one O(2), one O(3), one O(4), two equivalent O(10), two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(3)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, 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. Ca(1) is bonded to one O(1), one O(2), one O(3), one O(4), two equivalent O(10), two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms to form CaO12 cuboctahedra that share corners with four equivalent Ca(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(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. Ti(1) is bonded to one O(6), one O(8), two equivalent O(10), and two equivalent O(4) atoms 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, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Ca(1)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(5), one O(7), two equivalent O(1), and two equivalent O(9) atoms 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, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Mn site, Mn(2) is bonded to one O(6), one O(8), two equivalent O(2), and two equivalent O(9) atoms 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, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)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(5), one O(7), two equivalent O(10), and two equivalent O(3) atoms 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, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are ten inequivalent O sites. In the first O site, O(9) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), one Sr(3), one Ca(1), one Mn(1), and one Mn(2) atom. In the second O site, O(10) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), one Sr(3), one Ca(1), one Ti(1), and one Mn(3) atom. In the third O site, O(1) is bonded to one Sr(1), one Sr(2), one Sr(3), one Ca(1), and two equivalent Mn(1) atoms to form distorted corner-sharing OSr3CaMn2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fourth O site, O(2) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), one Sr(3), one Ca(1), and two equivalent Mn(2) atoms. In the fifth O site, O(3) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), one Sr(3), one Ca(1), and two equivalent Mn(3) atoms. In the sixth O site, O(4) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), one Sr(3), one Ca(1), and two equivalent Ti(1) atoms. In the seventh O site, O(5) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Mn(1), and one Mn(3) atom. In the eighth O site, O(6) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Ti(1), and one Mn(2) atom. In the ninth O site, O(7) is bonded in a distorted linear geometry to two equivalent Sr(3), two equivalent Ca(1), one Mn(1), and one Mn(3) atom. In the tenth O site, O(8) is bonded in a distorted linear geometry to two equivalent Sr(3), two equivalent Ca(1), one Ti(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_Sr3CaTiMn3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.743
_cell_length_b   7.745
_cell_length_c   7.793
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.315
_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  0.247  0.247  0.750  1.0
  Sr  Sr1  1  0.247  0.753  0.750  1.0
  Sr  Sr2  1  0.753  0.753  0.750  1.0
  Sr  Sr3  1  0.247  0.247  0.250  1.0
  Sr  Sr4  1  0.247  0.753  0.250  1.0
  Sr  Sr5  1  0.753  0.247  0.250  1.0
  Ca  Ca6  1  0.754  0.246  0.750  1.0
  Ca  Ca7  1  0.754  0.754  0.250  1.0
  Ti  Ti8  1  0.502  0.500  0.000  1.0
  Ti  Ti9  1  0.502  0.500  0.500  1.0
  Mn  Mn10  1  0.999  0.000  0.000  1.0
  Mn  Mn11  1  0.999  0.500  0.000  1.0
  Mn  Mn12  1  0.501  0.000  0.000  1.0
  Mn  Mn13  1  0.999  0.000  0.500  1.0
  Mn  Mn14  1  0.999  0.500  0.500  1.0
  Mn  Mn15  1  0.501  0.000  0.500  1.0
  O  O16  1  0.997  0.002  0.750  1.0
  O  O17  1  0.997  0.497  0.750  1.0
  O  O18  1  0.503  0.003  0.750  1.0
  O  O19  1  0.502  0.499  0.750  1.0
  O  O20  1  0.997  0.998  0.250  1.0
  O  O21  1  0.997  0.503  0.250  1.0
  O  O22  1  0.503  0.997  0.250  1.0
  O  O23  1  0.502  0.501  0.250  1.0
  O  O24  1  0.250  0.000  0.000  1.0
  O  O25  1  0.247  0.500  0.000  1.0
  O  O26  1  0.750  0.000  0.000  1.0
  O  O27  1  0.753  0.500  0.000  1.0
  O  O28  1  0.250  0.000  0.500  1.0
  O  O29  1  0.247  0.500  0.500  1.0
  O  O30  1  0.750  0.000  0.500  1.0
  O  O31  1  0.753  0.500  0.500  1.0
  O  O32  1  0.997  0.250  0.997  1.0
  O  O33  1  0.997  0.750  0.003  1.0
  O  O34  1  0.503  0.247  0.999  1.0
  O  O35  1  0.503  0.753  0.002  1.0
  O  O36  1  0.997  0.250  0.503  1.0
  O  O37  1  0.997  0.750  0.497  1.0
  O  O38  1  0.503  0.247  0.501  1.0
  O  O39  1  0.503  0.753  0.498  1.0
[/CIF]
.
The compound described by Sr3CaTiMn3O12 is (Cubic) Perovskite-derived structured and crystallizes in the orthorhombic Pma2 space group. There are three 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(5), two equivalent O(6), and two equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Sr(3)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Sr(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 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(5), two equivalent O(6), and two equivalent O(9) 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(3)O12 cuboctahedra, faces with four equivalent Sr(1)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(1), one O(2), one O(3), one O(4), two equivalent O(10), two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(3)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, 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. Ca(1) is bonded to one O(1), one O(2), one O(3), one O(4), two equivalent O(10), two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms to form CaO12 cuboctahedra that share corners with four equivalent Ca(1)O12 cuboctahedra, corners with eight equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Sr(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. Ti(1) is bonded to one O(6), one O(8), two equivalent O(10), and two equivalent O(4) atoms 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, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Ca(1)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(5), one O(7), two equivalent O(1), and two equivalent O(9) atoms 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, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Mn site, Mn(2) is bonded to one O(6), one O(8), two equivalent O(2), and two equivalent O(9) atoms 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, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)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(5), one O(7), two equivalent O(10), and two equivalent O(3) atoms 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, faces with two equivalent Sr(1)O12 cuboctahedra, faces with two equivalent Sr(2)O12 cuboctahedra, faces with two equivalent Sr(3)O12 cuboctahedra, and faces with two equivalent Ca(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are ten inequivalent O sites. In the first O site, O(9) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), one Sr(3), one Ca(1), one Mn(1), and one Mn(2) atom. In the second O site, O(10) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), one Sr(3), one Ca(1), one Ti(1), and one Mn(3) atom. In the third O site, O(1) is bonded to one Sr(1), one Sr(2), one Sr(3), one Ca(1), and two equivalent Mn(1) atoms to form distorted corner-sharing OSr3CaMn2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the fourth O site, O(2) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), one Sr(3), one Ca(1), and two equivalent Mn(2) atoms. In the fifth O site, O(3) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), one Sr(3), one Ca(1), and two equivalent Mn(3) atoms. In the sixth O site, O(4) is bonded in a distorted linear geometry to one Sr(1), one Sr(2), one Sr(3), one Ca(1), and two equivalent Ti(1) atoms. In the seventh O site, O(5) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Mn(1), and one Mn(3) atom. In the eighth O site, O(6) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Sr(2), one Ti(1), and one Mn(2) atom. In the ninth O site, O(7) is bonded in a distorted linear geometry to two equivalent Sr(3), two equivalent Ca(1), one Mn(1), and one Mn(3) atom. In the tenth O site, O(8) is bonded in a distorted linear geometry to two equivalent Sr(3), two equivalent Ca(1), one Ti(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_Sr3CaTiMn3O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.743
_cell_length_b   7.745
_cell_length_c   7.793
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   467.315
_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  0.247  0.247  0.750  1.0
  Sr  Sr1  1  0.247  0.753  0.750  1.0
  Sr  Sr2  1  0.753  0.753  0.750  1.0
  Sr  Sr3  1  0.247  0.247  0.250  1.0
  Sr  Sr4  1  0.247  0.753  0.250  1.0
  Sr  Sr5  1  0.753  0.247  0.250  1.0
  Ca  Ca6  1  0.754  0.246  0.750  1.0
  Ca  Ca7  1  0.754  0.754  0.250  1.0
  Ti  Ti8  1  0.502  0.500  0.000  1.0
  Ti  Ti9  1  0.502  0.500  0.500  1.0
  Mn  Mn10  1  0.999  0.000  0.000  1.0
  Mn  Mn11  1  0.999  0.500  0.000  1.0
  Mn  Mn12  1  0.501  0.000  0.000  1.0
  Mn  Mn13  1  0.999  0.000  0.500  1.0
  Mn  Mn14  1  0.999  0.500  0.500  1.0
  Mn  Mn15  1  0.501  0.000  0.500  1.0
  O  O16  1  0.997  0.002  0.750  1.0
  O  O17  1  0.997  0.497  0.750  1.0
  O  O18  1  0.503  0.003  0.750  1.0
  O  O19  1  0.502  0.499  0.750  1.0
  O  O20  1  0.997  0.998  0.250  1.0
  O  O21  1  0.997  0.503  0.250  1.0
  O  O22  1  0.503  0.997  0.250  1.0
  O  O23  1  0.502  0.501  0.250  1.0
  O  O24  1  0.250  0.000  0.000  1.0
  O  O25  1  0.247  0.500  0.000  1.0
  O  O26  1  0.750  0.000  0.000  1.0
  O  O27  1  0.753  0.500  0.000  1.0
  O  O28  1  0.250  0.000  0.500  1.0
  O  O29  1  0.247  0.500  0.500  1.0
  O  O30  1  0.750  0.000  0.500  1.0
  O  O31  1  0.753  0.500  0.500  1.0
  O  O32  1  0.997  0.250  0.997  1.0
  O  O33  1  0.997  0.750  0.003  1.0
  O  O34  1  0.503  0.247  0.999  1.0
  O  O35  1  0.503  0.753  0.002  1.0
  O  O36  1  0.997  0.250  0.503  1.0
  O  O37  1  0.997  0.750  0.497  1.0
  O  O38  1  0.503  0.247  0.501  1.0
  O  O39  1  0.503  0.753  0.498  1.0
[/CIF]
.