The compound described by MgTiMn5(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(16), one O(2), one O(3), and one O(5) atom. Ti(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) 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 five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(11), one O(14), one O(21), one O(4), and one O(7) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) atom. In the third Mn site, Mn(3) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Mn(5)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(14), one O(20), one O(4), one O(7), and one O(9) atom to form distorted 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 fifth Mn site, Mn(5) is bonded to one O(1), one O(15), one O(17), one O(19), one O(2), and one O(3) atom to form distorted 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Mn(3)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), 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 Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  a cornercorner with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-48°. In the second P site, P(2) is bonded to one O(1), one O(13), 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 Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  a cornercorner with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-46°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  a cornercorner with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-46°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  a cornercorner with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-49°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  a cornercorner with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-46°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  a cornercorner with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-52°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(5), and one P(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(5), and one P(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(5), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one P(1) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one Ti(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ti(1), one Mn(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a T-shaped geometry to one Mg(1), one Ti(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a T-shaped geometry to one Mg(1), one Ti(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Ti(1), one Mn(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to 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 Mn(2) and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(5) atom. is represented by the CIF card [CIF]
data_MgTiMn5(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.083
_cell_length_b   8.688
_cell_length_c   8.788
_cell_angle_alpha   60.199
_cell_angle_beta   57.852
_cell_angle_gamma   60.689
_symmetry_Int_Tables_number   1
_cell_volume   485.025
_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
  Mg  Mg0  1  0.240  0.252  0.262  1.0
  Ti  Ti1  1  0.608  0.135  0.126  1.0
  Mn  Mn2  1  0.028  0.991  0.018  1.0
  Mn  Mn3  1  0.055  0.649  0.638  1.0
  Mn  Mn4  1  0.488  0.504  0.499  1.0
  Mn  Mn5  1  0.442  0.849  0.857  1.0
  Mn  Mn6  1  0.887  0.378  0.362  1.0
  P  P7  1  0.237  0.253  0.557  1.0
  P  P8  1  0.255  0.948  0.255  1.0
  P  P9  1  0.275  0.539  0.948  1.0
  P  P10  1  0.753  0.461  0.033  1.0
  P  P11  1  0.738  0.037  0.748  1.0
  P  P12  1  0.739  0.759  0.458  1.0
  O  O13  1  0.087  0.114  0.304  1.0
  O  O14  1  0.101  0.492  0.116  1.0
  O  O15  1  0.077  0.302  0.508  1.0
  O  O16  1  0.223  0.100  0.750  1.0
  O  O17  1  0.413  0.197  0.381  1.0
  O  O18  1  0.252  0.426  0.557  1.0
  O  O19  1  0.252  0.922  0.094  1.0
  O  O20  1  0.259  0.761  0.421  1.0
  O  O21  1  0.597  0.595  0.969  1.0
  O  O22  1  0.299  0.546  0.760  1.0
  O  O23  1  0.778  0.254  0.056  1.0
  O  O24  1  0.567  0.980  0.840  1.0
  O  O25  1  0.421  0.004  0.201  1.0
  O  O26  1  0.260  0.731  0.936  1.0
  O  O27  1  0.710  0.453  0.231  1.0
  O  O28  1  0.434  0.370  0.015  1.0
  O  O29  1  0.711  0.228  0.595  1.0
  O  O30  1  0.747  0.067  0.908  1.0
  O  O31  1  0.700  0.609  0.452  1.0
  O  O32  1  0.568  0.852  0.600  1.0
  O  O33  1  0.764  0.917  0.250  1.0
  O  O34  1  0.917  0.696  0.480  1.0
  O  O35  1  0.940  0.491  0.890  1.0
  O  O36  1  0.918  0.887  0.686  1.0
[/CIF]
.
The compound described by MgTiMn5(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(13), one O(16), one O(2), one O(3), and one O(5) atom. Ti(1) is bonded to one O(11), one O(13), one O(16), one O(18), one O(21), and one O(5) 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 five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(11), one O(14), one O(21), one O(4), and one O(7) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) atom. In the third Mn site, Mn(3) is bonded to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom to form distorted 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Mn(5)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(14), one O(20), one O(4), one O(7), and one O(9) atom to form distorted 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 fifth Mn site, Mn(5) is bonded to one O(1), one O(15), one O(17), one O(19), one O(2), and one O(3) atom to form distorted 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Mn(3)O6 octahedra. There are six inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(4), 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 Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  a cornercorner with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-48°. In the second P site, P(2) is bonded to one O(1), one O(13), 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 Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  a cornercorner with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-46°. In the third P site, P(3) is bonded to one O(10), one O(14), one O(16), and one O(2) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  a cornercorner with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-46°. In the fourth P site, P(4) is bonded to one O(11), one O(15), one O(23), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  a cornercorner with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-49°. In the fifth P site, P(5) is bonded to one O(12), one O(17), one O(18), and one O(24) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  a cornercorner with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 30-46°. In the sixth P site, P(6) is bonded to one O(19), one O(20), one O(21), and one O(22) atom to form PO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, and  a cornercorner with one Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-52°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(5), and one P(2) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(5), and one P(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(5), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one P(1) atom. In the fifth O site, O(5) is bonded in a T-shaped geometry to one Mg(1), one Ti(1), and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Ti(1), one Mn(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(5) atom. In the thirteenth O site, O(13) is bonded in a T-shaped geometry to one Mg(1), one Ti(1), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a T-shaped geometry to one Mg(1), one Ti(1), and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a bent 150 degrees geometry to one Ti(1) and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), and one P(6) atom. In the twentieth O site, O(20) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Ti(1), one Mn(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a bent 150 degrees geometry to 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 Mn(2) and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(5) atom. is represented by the CIF card [CIF]
data_MgTiMn5(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.083
_cell_length_b   8.688
_cell_length_c   8.788
_cell_angle_alpha   60.199
_cell_angle_beta   57.852
_cell_angle_gamma   60.689
_symmetry_Int_Tables_number   1
_cell_volume   485.025
_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
  Mg  Mg0  1  0.240  0.252  0.262  1.0
  Ti  Ti1  1  0.608  0.135  0.126  1.0
  Mn  Mn2  1  0.028  0.991  0.018  1.0
  Mn  Mn3  1  0.055  0.649  0.638  1.0
  Mn  Mn4  1  0.488  0.504  0.499  1.0
  Mn  Mn5  1  0.442  0.849  0.857  1.0
  Mn  Mn6  1  0.887  0.378  0.362  1.0
  P  P7  1  0.237  0.253  0.557  1.0
  P  P8  1  0.255  0.948  0.255  1.0
  P  P9  1  0.275  0.539  0.948  1.0
  P  P10  1  0.753  0.461  0.033  1.0
  P  P11  1  0.738  0.037  0.748  1.0
  P  P12  1  0.739  0.759  0.458  1.0
  O  O13  1  0.087  0.114  0.304  1.0
  O  O14  1  0.101  0.492  0.116  1.0
  O  O15  1  0.077  0.302  0.508  1.0
  O  O16  1  0.223  0.100  0.750  1.0
  O  O17  1  0.413  0.197  0.381  1.0
  O  O18  1  0.252  0.426  0.557  1.0
  O  O19  1  0.252  0.922  0.094  1.0
  O  O20  1  0.259  0.761  0.421  1.0
  O  O21  1  0.597  0.595  0.969  1.0
  O  O22  1  0.299  0.546  0.760  1.0
  O  O23  1  0.778  0.254  0.056  1.0
  O  O24  1  0.567  0.980  0.840  1.0
  O  O25  1  0.421  0.004  0.201  1.0
  O  O26  1  0.260  0.731  0.936  1.0
  O  O27  1  0.710  0.453  0.231  1.0
  O  O28  1  0.434  0.370  0.015  1.0
  O  O29  1  0.711  0.228  0.595  1.0
  O  O30  1  0.747  0.067  0.908  1.0
  O  O31  1  0.700  0.609  0.452  1.0
  O  O32  1  0.568  0.852  0.600  1.0
  O  O33  1  0.764  0.917  0.250  1.0
  O  O34  1  0.917  0.696  0.480  1.0
  O  O35  1  0.940  0.491  0.890  1.0
  O  O36  1  0.918  0.887  0.686  1.0
[/CIF]
.