The structure described by MgTi3Fe2Co(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(12), one O(20), one O(22), one O(23), one O(24), and one O(9) atom. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) 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(12), one O(14), one O(20), one O(4), 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. In the third Ti site, Ti(3) 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 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 Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(14), one O(18), one O(21), one O(4), and one O(7) atom to form distorted FeO6 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,  a faceface with one Ti(2)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom. Co(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 CoO6 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 Fe(1)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 Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-48°. 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 Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-49°. 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 Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-48°. 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 Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-48°. 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 Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-50°. 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 Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(2), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(1), one Fe(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(2), one Fe(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ti(1), one Fe(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ti(1), one Fe(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Fe(1), one Co(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(2), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Co(1) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ti(2), one Fe(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ti(3), one Fe(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Co(1) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Ti(3), one Fe(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Fe(1), one Co(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Ti(3), one Fe(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(2), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Fe(1), one Co(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a T-shaped geometry to one Mg(1), one Ti(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a T-shaped geometry to one Mg(1), one Ti(1), and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a T-shaped geometry to one Mg(1), one Ti(1), and one P(5) atom. is represented by the CIF card [CIF]
data_MgTi3Fe2Co(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.704
_cell_length_b   8.762
_cell_length_c   8.752
_cell_angle_alpha   59.968
_cell_angle_beta   59.939
_cell_angle_gamma   59.836
_symmetry_Int_Tables_number   1
_cell_volume   471.103
_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  0.746  0.752  0.752  1.0
  Ti  Ti1  1  0.111  0.629  0.629  1.0
  Ti  Ti2  1  0.383  0.872  0.872  1.0
  Ti  Ti3  1  0.937  0.355  0.353  1.0
  Fe  Fe4  1  0.978  0.008  0.005  1.0
  Fe  Fe5  1  0.505  0.499  0.500  1.0
  Co  Co6  1  0.570  0.143  0.144  1.0
  P  P7  1  0.252  0.246  0.538  1.0
  P  P8  1  0.252  0.963  0.246  1.0
  P  P9  1  0.255  0.537  0.961  1.0
  P  P10  1  0.750  0.454  0.050  1.0
  P  P11  1  0.753  0.049  0.746  1.0
  P  P12  1  0.751  0.747  0.453  1.0
  O  O13  1  0.073  0.117  0.320  1.0
  O  O14  1  0.075  0.488  0.115  1.0
  O  O15  1  0.073  0.321  0.488  1.0
  O  O16  1  0.212  0.097  0.740  1.0
  O  O17  1  0.430  0.171  0.398  1.0
  O  O18  1  0.271  0.405  0.558  1.0
  O  O19  1  0.210  0.950  0.098  1.0
  O  O20  1  0.272  0.766  0.406  1.0
  O  O21  1  0.575  0.622  0.999  1.0
  O  O22  1  0.276  0.554  0.764  1.0
  O  O23  1  0.774  0.264  0.061  1.0
  O  O24  1  0.578  0.998  0.806  1.0
  O  O25  1  0.430  0.001  0.169  1.0
  O  O26  1  0.214  0.740  0.946  1.0
  O  O27  1  0.734  0.443  0.241  1.0
  O  O28  1  0.432  0.398  0.001  1.0
  O  O29  1  0.736  0.240  0.583  1.0
  O  O30  1  0.780  0.057  0.902  1.0
  O  O31  1  0.737  0.584  0.441  1.0
  O  O32  1  0.577  0.804  0.622  1.0
  O  O33  1  0.774  0.904  0.265  1.0
  O  O34  1  0.922  0.681  0.515  1.0
  O  O35  1  0.921  0.515  0.885  1.0
  O  O36  1  0.923  0.884  0.679  1.0
[/CIF]
.
The structure described by MgTi3Fe2Co(PO4)6 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(12), one O(20), one O(22), one O(23), one O(24), and one O(9) atom. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(10), one O(22), one O(23), one O(24), one O(6), and one O(8) 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(12), one O(14), one O(20), one O(4), 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,  a cornercorner with one P(6)O4 tetrahedra, and  a faceface with one Fe(1)O6 octahedra. In the third Ti site, Ti(3) 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 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 Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(14), one O(18), one O(21), one O(4), and one O(7) atom to form distorted FeO6 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,  a faceface with one Ti(2)O6 octahedra, and  a faceface with one Co(1)O6 octahedra. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(10), one O(15), one O(17), one O(19), one O(6), and one O(8) atom. Co(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 CoO6 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 Fe(1)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 Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-48°. 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 Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-49°. 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 Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-48°. 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 Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-48°. 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 Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-50°. 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 Ti(2)O6 octahedra,  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, and  a cornercorner with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 12-49°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(3) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Ti(2), one Fe(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(1), one Fe(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Ti(2), one Fe(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Ti(1), one Fe(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(2), and one P(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ti(1), one Fe(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Fe(1), one Co(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(2), and one P(5) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Co(1) and one P(2) atom. In the fourteenth O site, O(14) is bonded in a 3-coordinate geometry to one Ti(2), one Fe(1), and one P(3) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Ti(3), one Fe(2), and one P(4) atom. In the sixteenth O site, O(16) is bonded in a bent 150 degrees geometry to one Co(1) and one P(3) atom. In the seventeenth O site, O(17) is bonded in a 3-coordinate geometry to one Ti(3), one Fe(2), and one P(5) atom. In the eighteenth O site, O(18) is bonded in a 3-coordinate geometry to one Fe(1), one Co(1), and one P(5) atom. In the nineteenth O site, O(19) is bonded in a 3-coordinate geometry to one Ti(3), one Fe(2), and one P(6) atom. In the twentieth O site, O(20) is bonded in a distorted T-shaped geometry to one Mg(1), one Ti(2), and one P(6) atom. In the twenty-first O site, O(21) is bonded in a 3-coordinate geometry to one Fe(1), one Co(1), and one P(6) atom. In the twenty-second O site, O(22) is bonded in a T-shaped geometry to one Mg(1), one Ti(1), and one P(6) atom. In the twenty-third O site, O(23) is bonded in a T-shaped geometry to one Mg(1), one Ti(1), and one P(4) atom. In the twenty-fourth O site, O(24) is bonded in a T-shaped geometry to one Mg(1), one Ti(1), and one P(5) atom. is represented by the CIF card [CIF]
data_MgTi3Fe2Co(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.704
_cell_length_b   8.762
_cell_length_c   8.752
_cell_angle_alpha   59.968
_cell_angle_beta   59.939
_cell_angle_gamma   59.836
_symmetry_Int_Tables_number   1
_cell_volume   471.103
_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  0.746  0.752  0.752  1.0
  Ti  Ti1  1  0.111  0.629  0.629  1.0
  Ti  Ti2  1  0.383  0.872  0.872  1.0
  Ti  Ti3  1  0.937  0.355  0.353  1.0
  Fe  Fe4  1  0.978  0.008  0.005  1.0
  Fe  Fe5  1  0.505  0.499  0.500  1.0
  Co  Co6  1  0.570  0.143  0.144  1.0
  P  P7  1  0.252  0.246  0.538  1.0
  P  P8  1  0.252  0.963  0.246  1.0
  P  P9  1  0.255  0.537  0.961  1.0
  P  P10  1  0.750  0.454  0.050  1.0
  P  P11  1  0.753  0.049  0.746  1.0
  P  P12  1  0.751  0.747  0.453  1.0
  O  O13  1  0.073  0.117  0.320  1.0
  O  O14  1  0.075  0.488  0.115  1.0
  O  O15  1  0.073  0.321  0.488  1.0
  O  O16  1  0.212  0.097  0.740  1.0
  O  O17  1  0.430  0.171  0.398  1.0
  O  O18  1  0.271  0.405  0.558  1.0
  O  O19  1  0.210  0.950  0.098  1.0
  O  O20  1  0.272  0.766  0.406  1.0
  O  O21  1  0.575  0.622  0.999  1.0
  O  O22  1  0.276  0.554  0.764  1.0
  O  O23  1  0.774  0.264  0.061  1.0
  O  O24  1  0.578  0.998  0.806  1.0
  O  O25  1  0.430  0.001  0.169  1.0
  O  O26  1  0.214  0.740  0.946  1.0
  O  O27  1  0.734  0.443  0.241  1.0
  O  O28  1  0.432  0.398  0.001  1.0
  O  O29  1  0.736  0.240  0.583  1.0
  O  O30  1  0.780  0.057  0.902  1.0
  O  O31  1  0.737  0.584  0.441  1.0
  O  O32  1  0.577  0.804  0.622  1.0
  O  O33  1  0.774  0.904  0.265  1.0
  O  O34  1  0.922  0.681  0.515  1.0
  O  O35  1  0.921  0.515  0.885  1.0
  O  O36  1  0.923  0.884  0.679  1.0
[/CIF]
.