The structure described by Ca8TiMn7O23 crystallizes in the tetragonal P4mm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted q6 geometry to one O(4), two equivalent O(2), two equivalent O(6), two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms. In the second Ca site, Ca(2) is bonded to one O(1), one O(5), two equivalent O(3), two equivalent O(6), 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(2)O12 cuboctahedra, faces with four equivalent Ca(2)O12 cuboctahedra,  a faceface with one Mn(4)O6 octahedra,  a faceface with one Mn(5)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra,  a faceface with one Ti(1)O5 square pyramid, and  a faceface with one Mn(1)O5 square pyramid. Ti(1) is bonded to one O(1) and four equivalent O(6) atoms to form TiO5 square pyramids that share corners with four equivalent Mn(2)O6 octahedra,  a cornercorner with one Mn(1)O5 square pyramid, and faces with four equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1) and four equivalent O(7) atoms to form MnO5 square pyramids that share corners with four equivalent Mn(3)O6 octahedra,  a cornercorner with one Ti(1)O5 square pyramid, and faces with four equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 9°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Ti(1)O5 square pyramids, and faces with four equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), two equivalent O(7), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(1)O5 square pyramids, and faces with four equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(5), and four equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Mn(5)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, and faces with four equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth Mn site, Mn(5) is bonded to one O(4), one O(5), and four equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, and faces with four equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ca(2), one Ti(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ca(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded to four equivalent Ca(2), one Mn(2), and one Mn(3) atom to form a mixture of distorted corner, face, and edge-sharing OCa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 6-59°. In the fourth O site, O(4) is bonded to four equivalent Ca(1), one Mn(4), and one Mn(5) atom to form a mixture of distorted corner and face-sharing OCa4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to four equivalent Ca(2), one Mn(4), and one Mn(5) atom to form a mixture of distorted corner, face, and edge-sharing OCa4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), one Ti(1), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to two equivalent Ca(1), two equivalent Ca(2), one Mn(1), and one Mn(3) atom. In the eighth O site, O(8) is bonded to two equivalent Ca(1), two equivalent Ca(2), one Mn(2), and one Mn(4) atom to form a mixture of distorted corner, face, and edge-sharing OCa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-59°. In the ninth O site, O(9) is bonded to two equivalent Ca(1), two equivalent Ca(2), one Mn(3), and one Mn(5) atom to form a mixture of distorted corner, face, and edge-sharing OCa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 2-56°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca8TiMn7O23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.652
_cell_length_b   7.652
_cell_length_c   7.650
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   447.952
_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
  Ca  Ca0  1  0.263  0.263  0.251  1.0
  Ca  Ca1  1  0.262  0.262  0.744  1.0
  Ca  Ca2  1  0.263  0.737  0.251  1.0
  Ca  Ca3  1  0.262  0.738  0.744  1.0
  Ca  Ca4  1  0.737  0.263  0.251  1.0
  Ca  Ca5  1  0.738  0.262  0.744  1.0
  Ca  Ca6  1  0.737  0.737  0.251  1.0
  Ca  Ca7  1  0.738  0.738  0.744  1.0
  Ti  Ti8  1  0.000  0.000  0.986  1.0
  Mn  Mn9  1  0.000  0.000  0.499  1.0
  Mn  Mn10  1  0.000  0.500  0.006  1.0
  Mn  Mn11  1  0.000  0.500  0.498  1.0
  Mn  Mn12  1  0.500  0.000  0.006  1.0
  Mn  Mn13  1  0.500  0.000  0.498  1.0
  Mn  Mn14  1  0.500  0.500  1.000  1.0
  Mn  Mn15  1  0.500  0.500  0.500  1.0
  O  O16  1  0.000  0.000  0.755  1.0
  O  O17  1  0.000  0.500  0.251  1.0
  O  O18  1  0.000  0.500  0.751  1.0
  O  O19  1  0.500  0.000  0.251  1.0
  O  O20  1  0.500  0.000  0.751  1.0
  O  O21  1  0.500  0.500  0.250  1.0
  O  O22  1  0.500  0.500  0.750  1.0
  O  O23  1  0.248  0.000  0.026  1.0
  O  O24  1  0.248  0.000  0.477  1.0
  O  O25  1  0.250  0.500  0.998  1.0
  O  O26  1  0.251  0.500  0.503  1.0
  O  O27  1  0.752  0.000  0.026  1.0
  O  O28  1  0.752  0.000  0.477  1.0
  O  O29  1  0.750  0.500  0.998  1.0
  O  O30  1  0.749  0.500  0.503  1.0
  O  O31  1  0.000  0.248  0.026  1.0
  O  O32  1  0.000  0.248  0.477  1.0
  O  O33  1  0.000  0.752  0.026  1.0
  O  O34  1  0.000  0.752  0.477  1.0
  O  O35  1  0.500  0.250  0.998  1.0
  O  O36  1  0.500  0.251  0.503  1.0
  O  O37  1  0.500  0.750  0.998  1.0
  O  O38  1  0.500  0.749  0.503  1.0
[/CIF]
.
The structure described by Ca8TiMn7O23 crystallizes in the tetragonal P4mm space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted q6 geometry to one O(4), two equivalent O(2), two equivalent O(6), two equivalent O(7), two equivalent O(8), and two equivalent O(9) atoms. In the second Ca site, Ca(2) is bonded to one O(1), one O(5), two equivalent O(3), two equivalent O(6), 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(2)O12 cuboctahedra, faces with four equivalent Ca(2)O12 cuboctahedra,  a faceface with one Mn(4)O6 octahedra,  a faceface with one Mn(5)O6 octahedra, faces with two equivalent Mn(2)O6 octahedra, faces with two equivalent Mn(3)O6 octahedra,  a faceface with one Ti(1)O5 square pyramid, and  a faceface with one Mn(1)O5 square pyramid. Ti(1) is bonded to one O(1) and four equivalent O(6) atoms to form TiO5 square pyramids that share corners with four equivalent Mn(2)O6 octahedra,  a cornercorner with one Mn(1)O5 square pyramid, and faces with four equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1) and four equivalent O(7) atoms to form MnO5 square pyramids that share corners with four equivalent Mn(3)O6 octahedra,  a cornercorner with one Ti(1)O5 square pyramid, and faces with four equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles are 9°. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), two equivalent O(6), and two equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent Ti(1)O5 square pyramids, and faces with four equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), two equivalent O(7), and two equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(5)O6 octahedra, corners with two equivalent Mn(1)O5 square pyramids, and faces with four equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(5), and four equivalent O(8) atoms to form MnO6 octahedra that share corners with two equivalent Mn(5)O6 octahedra, corners with four equivalent Mn(2)O6 octahedra, and faces with four equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fifth Mn site, Mn(5) is bonded to one O(4), one O(5), and four equivalent O(9) atoms to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent Mn(3)O6 octahedra, and faces with four equivalent Ca(2)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to four equivalent Ca(2), one Ti(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Ca(1), one Mn(2), and one Mn(3) atom. In the third O site, O(3) is bonded to four equivalent Ca(2), one Mn(2), and one Mn(3) atom to form a mixture of distorted corner, face, and edge-sharing OCa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 6-59°. In the fourth O site, O(4) is bonded to four equivalent Ca(1), one Mn(4), and one Mn(5) atom to form a mixture of distorted corner and face-sharing OCa4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to four equivalent Ca(2), one Mn(4), and one Mn(5) atom to form a mixture of distorted corner, face, and edge-sharing OCa4Mn2 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Ca(1), two equivalent Ca(2), one Ti(1), and one Mn(2) atom. In the seventh O site, O(7) is bonded in a distorted linear geometry to two equivalent Ca(1), two equivalent Ca(2), one Mn(1), and one Mn(3) atom. In the eighth O site, O(8) is bonded to two equivalent Ca(1), two equivalent Ca(2), one Mn(2), and one Mn(4) atom to form a mixture of distorted corner, face, and edge-sharing OCa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-59°. In the ninth O site, O(9) is bonded to two equivalent Ca(1), two equivalent Ca(2), one Mn(3), and one Mn(5) atom to form a mixture of distorted corner, face, and edge-sharing OCa4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 2-56°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca8TiMn7O23
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.652
_cell_length_b   7.652
_cell_length_c   7.650
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   447.952
_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
  Ca  Ca0  1  0.263  0.263  0.251  1.0
  Ca  Ca1  1  0.262  0.262  0.744  1.0
  Ca  Ca2  1  0.263  0.737  0.251  1.0
  Ca  Ca3  1  0.262  0.738  0.744  1.0
  Ca  Ca4  1  0.737  0.263  0.251  1.0
  Ca  Ca5  1  0.738  0.262  0.744  1.0
  Ca  Ca6  1  0.737  0.737  0.251  1.0
  Ca  Ca7  1  0.738  0.738  0.744  1.0
  Ti  Ti8  1  0.000  0.000  0.986  1.0
  Mn  Mn9  1  0.000  0.000  0.499  1.0
  Mn  Mn10  1  0.000  0.500  0.006  1.0
  Mn  Mn11  1  0.000  0.500  0.498  1.0
  Mn  Mn12  1  0.500  0.000  0.006  1.0
  Mn  Mn13  1  0.500  0.000  0.498  1.0
  Mn  Mn14  1  0.500  0.500  1.000  1.0
  Mn  Mn15  1  0.500  0.500  0.500  1.0
  O  O16  1  0.000  0.000  0.755  1.0
  O  O17  1  0.000  0.500  0.251  1.0
  O  O18  1  0.000  0.500  0.751  1.0
  O  O19  1  0.500  0.000  0.251  1.0
  O  O20  1  0.500  0.000  0.751  1.0
  O  O21  1  0.500  0.500  0.250  1.0
  O  O22  1  0.500  0.500  0.750  1.0
  O  O23  1  0.248  0.000  0.026  1.0
  O  O24  1  0.248  0.000  0.477  1.0
  O  O25  1  0.250  0.500  0.998  1.0
  O  O26  1  0.251  0.500  0.503  1.0
  O  O27  1  0.752  0.000  0.026  1.0
  O  O28  1  0.752  0.000  0.477  1.0
  O  O29  1  0.750  0.500  0.998  1.0
  O  O30  1  0.749  0.500  0.503  1.0
  O  O31  1  0.000  0.248  0.026  1.0
  O  O32  1  0.000  0.248  0.477  1.0
  O  O33  1  0.000  0.752  0.026  1.0
  O  O34  1  0.000  0.752  0.477  1.0
  O  O35  1  0.500  0.250  0.998  1.0
  O  O36  1  0.500  0.251  0.503  1.0
  O  O37  1  0.500  0.750  0.998  1.0
  O  O38  1  0.500  0.749  0.503  1.0
[/CIF]
.