The compound described by SrCa7Ti3Mn5O22 crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 10-coordinate geometry to one O(10), one O(15), one O(16), one O(19), one O(2), one O(20), one O(4), one O(7), one O(8), and one O(9) atom. There are seven inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(10), one O(16), one O(19), one O(20), one O(7), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(17), one O(18), one O(2), one O(21), one O(22), one O(8), and one O(9) atom. In the third Ca site, Ca(3) is bonded in a 6-coordinate geometry to one O(10), one O(21), one O(5), one O(6), one O(7), and one O(9) atom. In the fourth Ca site, Ca(4) is bonded in a 5-coordinate geometry to one O(12), one O(13), one O(14), one O(15), and one O(4) atom. In the fifth Ca site, Ca(5) is bonded in a 11-coordinate geometry to one O(1), one O(11), one O(13), one O(14), one O(15), one O(16), one O(19), one O(20), one O(3), one O(5), and one O(6) atom. In the sixth Ca site, Ca(6) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(13), one O(14), one O(17), one O(18), one O(2), one O(21), and one O(22) atom. In the seventh Ca site, Ca(7) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(18), one O(3), one O(5), and one O(6) atom. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(15), one O(17), and one O(7) atom to form TiO5 trigonal bipyramids that share corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  a cornercorner with one Ti(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-40°. In the second Ti site, Ti(2) is bonded to one O(1), one O(12), one O(16), one O(18), and one O(8) atom to form TiO5 trigonal bipyramids that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and  a cornercorner with one Ti(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 13-43°. In the third Ti site, Ti(3) is bonded to one O(11), one O(19), one O(21), one O(4), one O(5), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O5 square pyramids, and corners with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 22-26°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(13), one O(15), one O(17), one O(2), one O(3), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O5 square pyramids, and corners with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-23°. In the second Mn site, Mn(2) is bonded to one O(10), one O(14), one O(16), one O(18), one O(2), and one O(3) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(5)O5 square pyramids, and corners with two equivalent Ti(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-23°. In the third Mn site, Mn(3) is bonded to one O(12), one O(20), one O(22), one O(4), one O(5), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Mn(5)O5 square pyramids, and corners with two equivalent Ti(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 22-26°. In the fourth Mn site, Mn(4) is bonded to one O(13), one O(19), one O(21), one O(6), and one O(9) atom to form MnO5 square pyramids that share corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  a cornercorner with one Mn(5)O5 square pyramid. The corner-sharing octahedral tilt angles range from 15-25°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(14), one O(20), one O(22), and one O(6) atom to form MnO5 square pyramids that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 16-31°. There are twenty-two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(5), one Ca(7), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(2), one Ca(6), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ca(5), one Ca(7), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(4), one Ti(3), and one Mn(3) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ca(3), one Ca(5), one Ca(7), one Ti(3), and one Mn(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(3), one Ca(5), one Ca(7), one Mn(4), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Ca(3), one Ti(1), and one Ti(3) atom. In the eighth O site, O(8) is bonded to one Sr(1), one Ca(2), one Ti(2), and one Mn(3) atom to form distorted corner-sharing OSrCaTiMn tetrahedra. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Mn(1), and one Mn(4) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Mn(2), and one Mn(5) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ca(5), one Ca(6), one Ca(7), one Ti(1), and one Ti(3) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Ca(4), one Ca(6), one Ti(2), and one Mn(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ca(4), one Ca(5), one Ca(6), one Mn(1), and one Mn(4) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Ca(4), one Ca(5), one Ca(6), one Mn(2), and one Mn(5) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(4), one Ca(5), one Ti(1), and one Mn(1) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one Sr(1), one Ca(1), one Ca(5), one Ti(2), and one Mn(2) atom. In the seventeenth O site, O(17) is bonded to one Ca(2), one Ca(6), one Ti(1), and one Mn(1) atom to form distorted corner-sharing OCa2TiMn tetrahedra. In the eighteenth O site, O(18) is bonded in a 2-coordinate geometry to one Ca(2), one Ca(6), one Ca(7), one Ti(2), and one Mn(2) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Ca(5), one Ti(3), and one Mn(4) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(1), one Ca(5), one Mn(3), and one Mn(5) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one Ca(6), one Ti(3), and one Mn(4) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(6), one Mn(3), and one Mn(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCa7Ti3Mn5O22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.811
_cell_length_b   7.718
_cell_length_c   7.782
_cell_angle_alpha   89.956
_cell_angle_beta   90.308
_cell_angle_gamma   90.077
_symmetry_Int_Tables_number   1
_cell_volume   469.130
_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  0.246  0.250  0.254  1.0
  Ca  Ca1  1  0.269  0.271  0.751  1.0
  Ca  Ca2  1  0.240  0.733  0.268  1.0
  Ca  Ca3  1  0.285  0.738  0.764  1.0
  Ca  Ca4  1  0.753  0.252  0.241  1.0
  Ca  Ca5  1  0.738  0.281  0.745  1.0
  Ca  Ca6  1  0.758  0.739  0.259  1.0
  Ca  Ca7  1  0.753  0.753  0.751  1.0
  Ti  Ti8  1  0.006  0.996  0.980  1.0
  Ti  Ti9  1  0.995  0.997  0.513  1.0
  Ti  Ti10  1  0.506  0.998  0.999  1.0
  Mn  Mn11  1  0.996  0.503  0.020  1.0
  Mn  Mn12  1  0.998  0.498  0.514  1.0
  Mn  Mn13  1  0.503  0.995  0.482  1.0
  Mn  Mn14  1  0.502  0.505  0.994  1.0
  Mn  Mn15  1  0.505  0.503  0.509  1.0
  O  O16  1  0.965  0.973  0.748  1.0
  O  O17  1  0.043  0.493  0.268  1.0
  O  O18  1  0.948  0.511  0.772  1.0
  O  O19  1  0.496  0.052  0.233  1.0
  O  O20  1  0.512  0.947  0.724  1.0
  O  O21  1  0.540  0.546  0.750  1.0
  O  O22  1  0.247  0.009  0.950  1.0
  O  O23  1  0.215  0.983  0.427  1.0
  O  O24  1  0.252  0.494  0.974  1.0
  O  O25  1  0.257  0.518  0.542  1.0
  O  O26  1  0.743  0.984  0.992  1.0
  O  O27  1  0.788  0.010  0.404  1.0
  O  O28  1  0.738  0.504  0.063  1.0
  O  O29  1  0.743  0.473  0.457  1.0
  O  O30  1  0.988  0.219  0.062  1.0
  O  O31  1  0.016  0.249  0.542  1.0
  O  O32  1  0.007  0.784  0.086  1.0
  O  O33  1  0.973  0.742  0.500  1.0
  O  O34  1  0.509  0.257  0.955  1.0
  O  O35  1  0.487  0.249  0.533  1.0
  O  O36  1  0.477  0.747  0.045  1.0
  O  O37  1  0.507  0.740  0.429  1.0
[/CIF]
.
The compound described by SrCa7Ti3Mn5O22 crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 10-coordinate geometry to one O(10), one O(15), one O(16), one O(19), one O(2), one O(20), one O(4), one O(7), one O(8), and one O(9) atom. There are seven inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 6-coordinate geometry to one O(10), one O(16), one O(19), one O(20), one O(7), and one O(9) atom. In the second Ca site, Ca(2) is bonded in a 8-coordinate geometry to one O(10), one O(17), one O(18), one O(2), one O(21), one O(22), one O(8), and one O(9) atom. In the third Ca site, Ca(3) is bonded in a 6-coordinate geometry to one O(10), one O(21), one O(5), one O(6), one O(7), and one O(9) atom. In the fourth Ca site, Ca(4) is bonded in a 5-coordinate geometry to one O(12), one O(13), one O(14), one O(15), and one O(4) atom. In the fifth Ca site, Ca(5) is bonded in a 11-coordinate geometry to one O(1), one O(11), one O(13), one O(14), one O(15), one O(16), one O(19), one O(20), one O(3), one O(5), and one O(6) atom. In the sixth Ca site, Ca(6) is bonded in a 9-coordinate geometry to one O(11), one O(12), one O(13), one O(14), one O(17), one O(18), one O(2), one O(21), and one O(22) atom. In the seventh Ca site, Ca(7) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(18), one O(3), one O(5), and one O(6) atom. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(11), one O(15), one O(17), and one O(7) atom to form TiO5 trigonal bipyramids that share corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  a cornercorner with one Ti(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-40°. In the second Ti site, Ti(2) is bonded to one O(1), one O(12), one O(16), one O(18), and one O(8) atom to form TiO5 trigonal bipyramids that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and  a cornercorner with one Ti(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 13-43°. In the third Ti site, Ti(3) is bonded to one O(11), one O(19), one O(21), one O(4), one O(5), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O5 square pyramids, and corners with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 22-26°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(13), one O(15), one O(17), one O(2), one O(3), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O5 square pyramids, and corners with two equivalent Ti(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-23°. In the second Mn site, Mn(2) is bonded to one O(10), one O(14), one O(16), one O(18), one O(2), and one O(3) atom to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(5)O5 square pyramids, and corners with two equivalent Ti(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 21-23°. In the third Mn site, Mn(3) is bonded to one O(12), one O(20), one O(22), one O(4), one O(5), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Mn(5)O5 square pyramids, and corners with two equivalent Ti(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 22-26°. In the fourth Mn site, Mn(4) is bonded to one O(13), one O(19), one O(21), one O(6), and one O(9) atom to form MnO5 square pyramids that share corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, and  a cornercorner with one Mn(5)O5 square pyramid. The corner-sharing octahedral tilt angles range from 15-25°. In the fifth Mn site, Mn(5) is bonded to one O(10), one O(14), one O(20), one O(22), and one O(6) atom to form MnO5 square pyramids that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, and  a cornercorner with one Mn(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 16-31°. There are twenty-two inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ca(5), one Ca(7), one Ti(1), and one Ti(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(2), one Ca(6), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Ca(5), one Ca(7), one Mn(1), and one Mn(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(4), one Ti(3), and one Mn(3) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Ca(3), one Ca(5), one Ca(7), one Ti(3), and one Mn(3) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Ca(3), one Ca(5), one Ca(7), one Mn(4), and one Mn(5) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Ca(3), one Ti(1), and one Ti(3) atom. In the eighth O site, O(8) is bonded to one Sr(1), one Ca(2), one Ti(2), and one Mn(3) atom to form distorted corner-sharing OSrCaTiMn tetrahedra. In the ninth O site, O(9) is bonded in a 6-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Mn(1), and one Mn(4) atom. In the tenth O site, O(10) is bonded in a 6-coordinate geometry to one Sr(1), one Ca(1), one Ca(2), one Ca(3), one Mn(2), and one Mn(5) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Ca(5), one Ca(6), one Ca(7), one Ti(1), and one Ti(3) atom. In the twelfth O site, O(12) is bonded in a distorted see-saw-like geometry to one Ca(4), one Ca(6), one Ti(2), and one Mn(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one Ca(4), one Ca(5), one Ca(6), one Mn(1), and one Mn(4) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one Ca(4), one Ca(5), one Ca(6), one Mn(2), and one Mn(5) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(4), one Ca(5), one Ti(1), and one Mn(1) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one Sr(1), one Ca(1), one Ca(5), one Ti(2), and one Mn(2) atom. In the seventeenth O site, O(17) is bonded to one Ca(2), one Ca(6), one Ti(1), and one Mn(1) atom to form distorted corner-sharing OCa2TiMn tetrahedra. In the eighteenth O site, O(18) is bonded in a 2-coordinate geometry to one Ca(2), one Ca(6), one Ca(7), one Ti(2), and one Mn(2) atom. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to one Sr(1), one Ca(1), one Ca(5), one Ti(3), and one Mn(4) atom. In the twentieth O site, O(20) is bonded in a 5-coordinate geometry to one Sr(1), one Ca(1), one Ca(5), one Mn(3), and one Mn(5) atom. In the twenty-first O site, O(21) is bonded in a 5-coordinate geometry to one Ca(2), one Ca(3), one Ca(6), one Ti(3), and one Mn(4) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to one Ca(2), one Ca(6), one Mn(3), and one Mn(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrCa7Ti3Mn5O22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.811
_cell_length_b   7.718
_cell_length_c   7.782
_cell_angle_alpha   89.956
_cell_angle_beta   90.308
_cell_angle_gamma   90.077
_symmetry_Int_Tables_number   1
_cell_volume   469.130
_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  0.246  0.250  0.254  1.0
  Ca  Ca1  1  0.269  0.271  0.751  1.0
  Ca  Ca2  1  0.240  0.733  0.268  1.0
  Ca  Ca3  1  0.285  0.738  0.764  1.0
  Ca  Ca4  1  0.753  0.252  0.241  1.0
  Ca  Ca5  1  0.738  0.281  0.745  1.0
  Ca  Ca6  1  0.758  0.739  0.259  1.0
  Ca  Ca7  1  0.753  0.753  0.751  1.0
  Ti  Ti8  1  0.006  0.996  0.980  1.0
  Ti  Ti9  1  0.995  0.997  0.513  1.0
  Ti  Ti10  1  0.506  0.998  0.999  1.0
  Mn  Mn11  1  0.996  0.503  0.020  1.0
  Mn  Mn12  1  0.998  0.498  0.514  1.0
  Mn  Mn13  1  0.503  0.995  0.482  1.0
  Mn  Mn14  1  0.502  0.505  0.994  1.0
  Mn  Mn15  1  0.505  0.503  0.509  1.0
  O  O16  1  0.965  0.973  0.748  1.0
  O  O17  1  0.043  0.493  0.268  1.0
  O  O18  1  0.948  0.511  0.772  1.0
  O  O19  1  0.496  0.052  0.233  1.0
  O  O20  1  0.512  0.947  0.724  1.0
  O  O21  1  0.540  0.546  0.750  1.0
  O  O22  1  0.247  0.009  0.950  1.0
  O  O23  1  0.215  0.983  0.427  1.0
  O  O24  1  0.252  0.494  0.974  1.0
  O  O25  1  0.257  0.518  0.542  1.0
  O  O26  1  0.743  0.984  0.992  1.0
  O  O27  1  0.788  0.010  0.404  1.0
  O  O28  1  0.738  0.504  0.063  1.0
  O  O29  1  0.743  0.473  0.457  1.0
  O  O30  1  0.988  0.219  0.062  1.0
  O  O31  1  0.016  0.249  0.542  1.0
  O  O32  1  0.007  0.784  0.086  1.0
  O  O33  1  0.973  0.742  0.500  1.0
  O  O34  1  0.509  0.257  0.955  1.0
  O  O35  1  0.487  0.249  0.533  1.0
  O  O36  1  0.477  0.747  0.045  1.0
  O  O37  1  0.507  0.740  0.429  1.0
[/CIF]
.