The material structure described by SrCa3Mn4O12 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to four equivalent O(2), four equivalent O(4), and four equivalent O(5) atoms to form CaO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Ca(1)O12 cuboctahedra, corners with four equivalent Ca(2)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra, faces with four equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. In the second Ca site, Ca(2) is bonded to four equivalent O(3) and eight equivalent O(5) atoms to form CaO12 cuboctahedra that share corners with four equivalent Ca(2)O12 cuboctahedra, corners with eight equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Ca(2)O12 cuboctahedra, and faces with eight equivalent Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), and four equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with five equivalent Mn(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four 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(2), one O(3), and four equivalent O(5) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with five equivalent Mn(2)O6 octahedra, faces with four equivalent Ca(1)O12 cuboctahedra, and faces with four equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are five inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ca(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Ca(2) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Ca(1), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_SrCa3Mn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.834
_cell_length_b   3.834
_cell_length_c   15.283
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.710
_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  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.500  0.500  0.250  1.0
  Ca  Ca2  1  0.500  0.500  0.500  1.0
  Ca  Ca3  1  0.500  0.500  0.750  1.0
  Mn  Mn4  1  0.000  0.000  0.873  1.0
  Mn  Mn5  1  0.000  0.000  0.127  1.0
  Mn  Mn6  1  0.000  0.000  0.375  1.0
  Mn  Mn7  1  0.000  0.000  0.625  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.000  0.000  0.252  1.0
  O  O10  1  0.000  0.000  0.500  1.0
  O  O11  1  0.000  0.000  0.748  1.0
  O  O12  1  0.500  0.000  0.870  1.0
  O  O13  1  0.500  0.000  0.130  1.0
  O  O14  1  0.500  0.000  0.376  1.0
  O  O15  1  0.500  0.000  0.624  1.0
  O  O16  1  0.000  0.500  0.870  1.0
  O  O17  1  0.000  0.500  0.130  1.0
  O  O18  1  0.000  0.500  0.376  1.0
  O  O19  1  0.000  0.500  0.624  1.0
[/CIF]
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The material structure described by SrCa3Mn4O12 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(4) atoms to form SrO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with eight equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with eight equivalent Mn(1)O6 octahedra. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded to four equivalent O(2), four equivalent O(4), and four equivalent O(5) atoms to form CaO12 cuboctahedra that share corners with four equivalent Sr(1)O12 cuboctahedra, corners with four equivalent Ca(1)O12 cuboctahedra, corners with four equivalent Ca(2)O12 cuboctahedra,  a faceface with one Sr(1)O12 cuboctahedra,  a faceface with one Ca(2)O12 cuboctahedra, faces with four equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Mn(1)O6 octahedra, and faces with four equivalent Mn(2)O6 octahedra. In the second Ca site, Ca(2) is bonded to four equivalent O(3) and eight equivalent O(5) atoms to form CaO12 cuboctahedra that share corners with four equivalent Ca(2)O12 cuboctahedra, corners with eight equivalent Ca(1)O12 cuboctahedra, faces with two equivalent Ca(1)O12 cuboctahedra, faces with four equivalent Ca(2)O12 cuboctahedra, and faces with eight equivalent Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), and four equivalent O(4) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra, corners with five equivalent Mn(1)O6 octahedra, faces with four equivalent Sr(1)O12 cuboctahedra, and faces with four 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(2), one O(3), and four equivalent O(5) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with five equivalent Mn(2)O6 octahedra, faces with four equivalent Ca(1)O12 cuboctahedra, and faces with four equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are five inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ca(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Ca(2) and two equivalent Mn(2) atoms. In the fourth O site, O(4) is bonded in a distorted linear geometry to two equivalent Sr(1), two equivalent Ca(1), and two equivalent Mn(1) atoms. In the fifth O site, O(5) is bonded in a distorted linear geometry to two equivalent Ca(1), two equivalent Ca(2), and two equivalent Mn(2) atoms. is represented by the CIF card [CIF]
data_SrCa3Mn4O12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.834
_cell_length_b   3.834
_cell_length_c   15.283
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   224.710
_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  0.500  0.500  0.000  1.0
  Ca  Ca1  1  0.500  0.500  0.250  1.0
  Ca  Ca2  1  0.500  0.500  0.500  1.0
  Ca  Ca3  1  0.500  0.500  0.750  1.0
  Mn  Mn4  1  0.000  0.000  0.873  1.0
  Mn  Mn5  1  0.000  0.000  0.127  1.0
  Mn  Mn6  1  0.000  0.000  0.375  1.0
  Mn  Mn7  1  0.000  0.000  0.625  1.0
  O  O8  1  0.000  0.000  0.000  1.0
  O  O9  1  0.000  0.000  0.252  1.0
  O  O10  1  0.000  0.000  0.500  1.0
  O  O11  1  0.000  0.000  0.748  1.0
  O  O12  1  0.500  0.000  0.870  1.0
  O  O13  1  0.500  0.000  0.130  1.0
  O  O14  1  0.500  0.000  0.376  1.0
  O  O15  1  0.500  0.000  0.624  1.0
  O  O16  1  0.000  0.500  0.870  1.0
  O  O17  1  0.000  0.500  0.130  1.0
  O  O18  1  0.000  0.500  0.376  1.0
  O  O19  1  0.000  0.500  0.624  1.0
[/CIF]
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