The material structure described by MnCo3(PO4)4 crystallizes in the monoclinic Pm space group. Mn(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share corners with four equivalent Co(2)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share corners with four equivalent Co(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the second Co site, Co(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted CoO6 pentagonal pyramids that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third Co site, Co(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-49°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 pentagonal pyramids, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a cornercorner with one Co(2)O6 pentagonal pyramid, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Co(2)O6 pentagonal pyramid, and  an edgeedge with one Co(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 36-54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Co(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Co(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Co(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(1), one Co(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Co(1) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnCo3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.941
_cell_length_b   4.838
_cell_length_c   9.768
_cell_angle_alpha   89.954
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.756
_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
  Mn  Mn0  1  0.000  0.934  0.283  1.0
  Co  Co1  1  0.500  0.033  0.729  1.0
  Co  Co2  1  0.500  0.430  0.214  1.0
  Co  Co3  1  0.000  0.533  0.771  1.0
  P  P4  1  0.000  0.092  0.599  1.0
  P  P5  1  0.000  0.418  0.097  1.0
  P  P6  1  0.500  0.592  0.903  1.0
  P  P7  1  0.500  0.911  0.400  1.0
  O  O8  1  0.000  0.153  0.444  1.0
  O  O9  1  0.203  0.240  0.670  1.0
  O  O10  1  0.797  0.240  0.670  1.0
  O  O11  1  0.500  0.225  0.380  1.0
  O  O12  1  0.500  0.277  0.880  1.0
  O  O13  1  0.204  0.272  0.170  1.0
  O  O14  1  0.796  0.272  0.170  1.0
  O  O15  1  0.000  0.355  0.943  1.0
  O  O16  1  0.500  0.657  0.057  1.0
  O  O17  1  0.703  0.741  0.832  1.0
  O  O18  1  0.297  0.741  0.832  1.0
  O  O19  1  0.000  0.732  0.117  1.0
  O  O20  1  0.000  0.776  0.621  1.0
  O  O21  1  0.702  0.760  0.330  1.0
  O  O22  1  0.298  0.760  0.330  1.0
  O  O23  1  0.500  0.857  0.557  1.0
[/CIF]
.
The material structure described by MnCo3(PO4)4 crystallizes in the monoclinic Pm space group. Mn(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share corners with four equivalent Co(2)O6 pentagonal pyramids,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share corners with four equivalent Co(3)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-49°. In the second Co site, Co(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted CoO6 pentagonal pyramids that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles are 50°. In the third Co site, Co(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-49°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), and two equivalent O(2) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Co(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the second P site, P(2) is bonded to one O(6), one O(9), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra, corners with two equivalent Co(2)O6 pentagonal pyramids, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-52°. In the third P site, P(3) is bonded to one O(4), one O(7), and two equivalent O(8) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Co(3)O6 octahedra,  a cornercorner with one Co(2)O6 pentagonal pyramid, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-57°. In the fourth P site, P(4) is bonded to one O(12), one O(3), and two equivalent O(11) atoms to form PO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one Co(2)O6 pentagonal pyramid, and  an edgeedge with one Co(2)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 36-54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Co(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Co(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Co(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Co(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 150 degrees geometry to one Co(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(1), one Co(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Co(1) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnCo3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.941
_cell_length_b   4.838
_cell_length_c   9.768
_cell_angle_alpha   89.954
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   280.756
_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
  Mn  Mn0  1  0.000  0.934  0.283  1.0
  Co  Co1  1  0.500  0.033  0.729  1.0
  Co  Co2  1  0.500  0.430  0.214  1.0
  Co  Co3  1  0.000  0.533  0.771  1.0
  P  P4  1  0.000  0.092  0.599  1.0
  P  P5  1  0.000  0.418  0.097  1.0
  P  P6  1  0.500  0.592  0.903  1.0
  P  P7  1  0.500  0.911  0.400  1.0
  O  O8  1  0.000  0.153  0.444  1.0
  O  O9  1  0.203  0.240  0.670  1.0
  O  O10  1  0.797  0.240  0.670  1.0
  O  O11  1  0.500  0.225  0.380  1.0
  O  O12  1  0.500  0.277  0.880  1.0
  O  O13  1  0.204  0.272  0.170  1.0
  O  O14  1  0.796  0.272  0.170  1.0
  O  O15  1  0.000  0.355  0.943  1.0
  O  O16  1  0.500  0.657  0.057  1.0
  O  O17  1  0.703  0.741  0.832  1.0
  O  O18  1  0.297  0.741  0.832  1.0
  O  O19  1  0.000  0.732  0.117  1.0
  O  O20  1  0.000  0.776  0.621  1.0
  O  O21  1  0.702  0.760  0.330  1.0
  O  O22  1  0.298  0.760  0.330  1.0
  O  O23  1  0.500  0.857  0.557  1.0
[/CIF]
.