The compound described by Li7MnCo3(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(8), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(5), and two equivalent O(7) atoms. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to three equivalent O(3) and three equivalent O(7) atoms. Mn(1) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Co site, Co(3) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-41°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-41°. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one P(2) atom. In the second O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted T-shaped geometry to one Li(2), one Co(3), and one P(1) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Co(2), and one P(1) atom. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Co(1), and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 150 degrees geometry to one Co(2) and one P(2) atom. In the eighth O site, O(7) is bonded in a 5-coordinate geometry to one Li(3), two equivalent Li(2), one Co(3), and one P(2) atom. is represented by the CIF file [CIF]
data_Li7MnCo3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.689
_cell_length_b   8.689
_cell_length_c   8.689
_cell_angle_alpha   61.331
_cell_angle_beta   61.331
_cell_angle_gamma   61.331
_symmetry_Int_Tables_number   1
_cell_volume   477.825
_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
  Li  Li0  1  0.875  0.693  0.253  1.0
  Li  Li1  1  0.693  0.253  0.875  1.0
  Li  Li2  1  0.729  0.147  0.323  1.0
  Li  Li3  1  0.253  0.875  0.693  1.0
  Li  Li4  1  0.323  0.729  0.147  1.0
  Li  Li5  1  0.517  0.517  0.517  1.0
  Li  Li6  1  0.147  0.323  0.729  1.0
  Mn  Mn7  1  0.144  0.144  0.144  1.0
  Co  Co8  1  0.650  0.650  0.650  1.0
  Co  Co9  1  0.855  0.855  0.855  1.0
  Co  Co10  1  0.352  0.352  0.352  1.0
  P  P11  1  0.951  0.250  0.546  1.0
  P  P12  1  0.464  0.044  0.745  1.0
  P  P13  1  0.250  0.546  0.951  1.0
  P  P14  1  0.745  0.464  0.044  1.0
  P  P15  1  0.546  0.951  0.250  1.0
  P  P16  1  0.044  0.745  0.464  1.0
  O  O17  1  0.123  0.285  0.524  1.0
  O  O18  1  0.921  0.092  0.735  1.0
  O  O19  1  0.770  0.421  0.566  1.0
  O  O20  1  0.524  0.123  0.285  1.0
  O  O21  1  0.623  0.006  0.802  1.0
  O  O22  1  0.272  0.080  0.892  1.0
  O  O23  1  0.285  0.524  0.123  1.0
  O  O24  1  0.978  0.206  0.384  1.0
  O  O25  1  0.462  0.219  0.568  1.0
  O  O26  1  0.092  0.735  0.921  1.0
  O  O27  1  0.421  0.566  0.770  1.0
  O  O28  1  0.206  0.384  0.978  1.0
  O  O29  1  0.802  0.623  0.006  1.0
  O  O30  1  0.568  0.462  0.219  1.0
  O  O31  1  0.892  0.272  0.080  1.0
  O  O32  1  0.566  0.770  0.421  1.0
  O  O33  1  0.006  0.802  0.623  1.0
  O  O34  1  0.706  0.483  0.875  1.0
  O  O35  1  0.735  0.921  0.092  1.0
  O  O36  1  0.384  0.978  0.206  1.0
  O  O37  1  0.483  0.875  0.706  1.0
  O  O38  1  0.219  0.568  0.462  1.0
  O  O39  1  0.875  0.706  0.483  1.0
  O  O40  1  0.080  0.892  0.272  1.0
[/CIF]
.
The compound described by Li7MnCo3(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(8), and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(5), and two equivalent O(7) atoms. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to three equivalent O(3) and three equivalent O(7) atoms. Mn(1) is bonded to three equivalent O(5) and three equivalent O(6) atoms to form MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(3) and three equivalent O(8) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the second Co site, Co(2) is bonded to three equivalent O(2) and three equivalent O(4) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. In the third Co site, Co(3) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-41°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Co(2)O6 octahedra, and  a cornercorner with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-41°. There are eight inequivalent O sites. In the first O site, O(5) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one P(2) atom. In the second O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the third O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Co(1), and one P(2) atom. In the fourth O site, O(1) is bonded in a distorted T-shaped geometry to one Li(2), one Co(3), and one P(1) atom. In the fifth O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Co(2), and one P(1) atom. In the sixth O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Co(1), and one P(1) atom. In the seventh O site, O(4) is bonded in a bent 150 degrees geometry to one Co(2) and one P(2) atom. In the eighth O site, O(7) is bonded in a 5-coordinate geometry to one Li(3), two equivalent Li(2), one Co(3), and one P(2) atom. is represented by the CIF file [CIF]
data_Li7MnCo3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.689
_cell_length_b   8.689
_cell_length_c   8.689
_cell_angle_alpha   61.331
_cell_angle_beta   61.331
_cell_angle_gamma   61.331
_symmetry_Int_Tables_number   1
_cell_volume   477.825
_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
  Li  Li0  1  0.875  0.693  0.253  1.0
  Li  Li1  1  0.693  0.253  0.875  1.0
  Li  Li2  1  0.729  0.147  0.323  1.0
  Li  Li3  1  0.253  0.875  0.693  1.0
  Li  Li4  1  0.323  0.729  0.147  1.0
  Li  Li5  1  0.517  0.517  0.517  1.0
  Li  Li6  1  0.147  0.323  0.729  1.0
  Mn  Mn7  1  0.144  0.144  0.144  1.0
  Co  Co8  1  0.650  0.650  0.650  1.0
  Co  Co9  1  0.855  0.855  0.855  1.0
  Co  Co10  1  0.352  0.352  0.352  1.0
  P  P11  1  0.951  0.250  0.546  1.0
  P  P12  1  0.464  0.044  0.745  1.0
  P  P13  1  0.250  0.546  0.951  1.0
  P  P14  1  0.745  0.464  0.044  1.0
  P  P15  1  0.546  0.951  0.250  1.0
  P  P16  1  0.044  0.745  0.464  1.0
  O  O17  1  0.123  0.285  0.524  1.0
  O  O18  1  0.921  0.092  0.735  1.0
  O  O19  1  0.770  0.421  0.566  1.0
  O  O20  1  0.524  0.123  0.285  1.0
  O  O21  1  0.623  0.006  0.802  1.0
  O  O22  1  0.272  0.080  0.892  1.0
  O  O23  1  0.285  0.524  0.123  1.0
  O  O24  1  0.978  0.206  0.384  1.0
  O  O25  1  0.462  0.219  0.568  1.0
  O  O26  1  0.092  0.735  0.921  1.0
  O  O27  1  0.421  0.566  0.770  1.0
  O  O28  1  0.206  0.384  0.978  1.0
  O  O29  1  0.802  0.623  0.006  1.0
  O  O30  1  0.568  0.462  0.219  1.0
  O  O31  1  0.892  0.272  0.080  1.0
  O  O32  1  0.566  0.770  0.421  1.0
  O  O33  1  0.006  0.802  0.623  1.0
  O  O34  1  0.706  0.483  0.875  1.0
  O  O35  1  0.735  0.921  0.092  1.0
  O  O36  1  0.384  0.978  0.206  1.0
  O  O37  1  0.483  0.875  0.706  1.0
  O  O38  1  0.219  0.568  0.462  1.0
  O  O39  1  0.875  0.706  0.483  1.0
  O  O40  1  0.080  0.892  0.272  1.0
[/CIF]
.