The crystal structure described by CaTiMn(PO4)3 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted hexagonal planar geometry to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom. In the second Ca site, Ca(2) is bonded in a distorted hexagonal planar geometry to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(12), one O(14), one O(20), one O(3), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Ti site, Ti(2) is bonded to one O(15), one O(17), one O(19), one O(21), one O(23), and one O(24) atom to form TiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(16), one O(18), one O(22), and one O(5) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-43°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-45°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-42°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-43°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-43°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-44°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ti(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(2), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one Ti(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ca(2), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ca(2), one Mn(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ca(1), one Ti(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ca(2), one Ti(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Ca(2), one Ti(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(2), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Ca(2), one Ti(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(2) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(2), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaTiMn(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.941
_cell_length_b   8.813
_cell_length_c   8.832
_cell_angle_alpha   58.407
_cell_angle_beta   58.578
_cell_angle_gamma   58.355
_symmetry_Int_Tables_number   1
_cell_volume   474.634
_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
  Ca  Ca0  1  0.997  0.999  0.998  1.0
  Ca  Ca1  1  0.497  0.499  0.497  1.0
  Ti  Ti2  1  0.148  0.145  0.148  1.0
  Ti  Ti3  1  0.649  0.647  0.645  1.0
  Mn  Mn4  1  0.354  0.356  0.348  1.0
  Mn  Mn5  1  0.849  0.851  0.858  1.0
  P  P6  1  0.039  0.462  0.751  1.0
  P  P7  1  0.455  0.748  0.043  1.0
  P  P8  1  0.755  0.039  0.462  1.0
  P  P9  1  0.256  0.964  0.539  1.0
  P  P10  1  0.541  0.248  0.958  1.0
  P  P11  1  0.957  0.543  0.250  1.0
  O  O12  1  0.113  0.520  0.292  1.0
  O  O13  1  0.300  0.129  0.501  1.0
  O  O14  1  0.054  0.274  0.924  1.0
  O  O15  1  0.518  0.289  0.117  1.0
  O  O16  1  0.007  0.625  0.796  1.0
  O  O17  1  0.225  0.438  0.586  1.0
  O  O18  1  0.267  0.919  0.058  1.0
  O  O19  1  0.427  0.576  0.230  1.0
  O  O20  1  0.208  0.001  0.372  1.0
  O  O21  1  0.591  0.227  0.438  1.0
  O  O22  1  0.094  0.942  0.726  1.0
  O  O23  1  0.373  0.204  0.999  1.0
  O  O24  1  0.609  0.787  0.026  1.0
  O  O25  1  0.926  0.052  0.276  1.0
  O  O26  1  0.428  0.777  0.550  1.0
  O  O27  1  0.799  0.005  0.625  1.0
  O  O28  1  0.557  0.420  0.769  1.0
  O  O29  1  0.727  0.079  0.932  1.0
  O  O30  1  0.770  0.557  0.421  1.0
  O  O31  1  0.999  0.372  0.204  1.0
  O  O32  1  0.498  0.703  0.872  1.0
  O  O33  1  0.930  0.730  0.080  1.0
  O  O34  1  0.708  0.872  0.500  1.0
  O  O35  1  0.873  0.500  0.706  1.0
[/CIF]
.
The crystal structure described by CaTiMn(PO4)3 crystallizes in the triclinic P1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted hexagonal planar geometry to one O(11), one O(14), one O(18), one O(22), one O(3), and one O(7) atom. In the second Ca site, Ca(2) is bonded in a distorted hexagonal planar geometry to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(12), one O(14), one O(20), one O(3), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Ti site, Ti(2) is bonded to one O(15), one O(17), one O(19), one O(21), one O(23), and one O(24) atom to form TiO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(16), one O(18), one O(22), and one O(5) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one P(5)O4 tetrahedra, and  a cornercorner with one P(6)O4 tetrahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(24), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-43°. In the second P site, P(2) is bonded to one O(13), one O(21), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-45°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(23) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-42°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-43°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-43°. In the sixth P site, P(6) is bonded to one O(1), one O(19), one O(20), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, and  a cornercorner with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-44°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(4) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Ca(1), one Ti(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ca(2), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ca(1), one Ti(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ca(2), one Mn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ca(2), one Mn(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ca(1), one Ti(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ca(2), one Ti(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Ca(2), one Ti(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(2), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Ca(2), one Ti(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(2) atom. In the twenty-second O site, O(22) is bonded in a 3-coordinate geometry to one Ca(1), one Mn(2), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(3) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Ti(2) and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaTiMn(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.941
_cell_length_b   8.813
_cell_length_c   8.832
_cell_angle_alpha   58.407
_cell_angle_beta   58.578
_cell_angle_gamma   58.355
_symmetry_Int_Tables_number   1
_cell_volume   474.634
_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
  Ca  Ca0  1  0.997  0.999  0.998  1.0
  Ca  Ca1  1  0.497  0.499  0.497  1.0
  Ti  Ti2  1  0.148  0.145  0.148  1.0
  Ti  Ti3  1  0.649  0.647  0.645  1.0
  Mn  Mn4  1  0.354  0.356  0.348  1.0
  Mn  Mn5  1  0.849  0.851  0.858  1.0
  P  P6  1  0.039  0.462  0.751  1.0
  P  P7  1  0.455  0.748  0.043  1.0
  P  P8  1  0.755  0.039  0.462  1.0
  P  P9  1  0.256  0.964  0.539  1.0
  P  P10  1  0.541  0.248  0.958  1.0
  P  P11  1  0.957  0.543  0.250  1.0
  O  O12  1  0.113  0.520  0.292  1.0
  O  O13  1  0.300  0.129  0.501  1.0
  O  O14  1  0.054  0.274  0.924  1.0
  O  O15  1  0.518  0.289  0.117  1.0
  O  O16  1  0.007  0.625  0.796  1.0
  O  O17  1  0.225  0.438  0.586  1.0
  O  O18  1  0.267  0.919  0.058  1.0
  O  O19  1  0.427  0.576  0.230  1.0
  O  O20  1  0.208  0.001  0.372  1.0
  O  O21  1  0.591  0.227  0.438  1.0
  O  O22  1  0.094  0.942  0.726  1.0
  O  O23  1  0.373  0.204  0.999  1.0
  O  O24  1  0.609  0.787  0.026  1.0
  O  O25  1  0.926  0.052  0.276  1.0
  O  O26  1  0.428  0.777  0.550  1.0
  O  O27  1  0.799  0.005  0.625  1.0
  O  O28  1  0.557  0.420  0.769  1.0
  O  O29  1  0.727  0.079  0.932  1.0
  O  O30  1  0.770  0.557  0.421  1.0
  O  O31  1  0.999  0.372  0.204  1.0
  O  O32  1  0.498  0.703  0.872  1.0
  O  O33  1  0.930  0.730  0.080  1.0
  O  O34  1  0.708  0.872  0.500  1.0
  O  O35  1  0.873  0.500  0.706  1.0
[/CIF]
.