The compound described by MnCu3(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  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 Cu sites. In the first Cu site, Cu(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted CuO6 pentagonal pyramids that share corners with four equivalent Cu(3)O6 pentagonal pyramids,  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. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms. In the third Cu site, Cu(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted CuO6 pentagonal pyramids that share corners with four equivalent Cu(1)O6 pentagonal pyramids,  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. 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 Cu(3)O6 pentagonal pyramid, corners with two equivalent Cu(1)O6 pentagonal pyramids, and  an edgeedge with one Cu(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 48°. 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 Cu(3)O6 pentagonal pyramid, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. 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 Cu(1)O6 pentagonal pyramid, corners with two equivalent Cu(3)O6 pentagonal pyramids, and  an edgeedge with one Cu(1)O6 pentagonal pyramid. 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 corners with two equivalent Mn(1)O6 octahedra and  a cornercorner with one Cu(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Cu(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(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 Cu(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnCu3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.941
_cell_length_b   4.883
_cell_length_c   9.749
_cell_angle_alpha   89.057
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   282.727
_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  0.061  0.715  1.0
  Cu  Cu1  1  0.500  0.929  0.285  1.0
  Cu  Cu2  1  0.500  0.597  0.789  1.0
  Cu  Cu3  1  0.000  0.426  0.217  1.0
  P  P4  1  0.000  0.908  0.402  1.0
  P  P5  1  0.000  0.583  0.904  1.0
  P  P6  1  0.500  0.423  0.100  1.0
  P  P7  1  0.500  0.084  0.597  1.0
  O  O8  1  0.000  0.838  0.557  1.0
  O  O9  1  0.202  0.762  0.330  1.0
  O  O10  1  0.798  0.762  0.330  1.0
  O  O11  1  0.500  0.768  0.617  1.0
  O  O12  1  0.500  0.735  0.119  1.0
  O  O13  1  0.199  0.741  0.830  1.0
  O  O14  1  0.801  0.741  0.830  1.0
  O  O15  1  0.000  0.648  0.058  1.0
  O  O16  1  0.500  0.369  0.944  1.0
  O  O17  1  0.702  0.266  0.170  1.0
  O  O18  1  0.298  0.266  0.170  1.0
  O  O19  1  0.000  0.274  0.879  1.0
  O  O20  1  0.000  0.223  0.385  1.0
  O  O21  1  0.705  0.225  0.667  1.0
  O  O22  1  0.295  0.225  0.667  1.0
  O  O23  1  0.500  0.147  0.441  1.0
[/CIF]
.
The compound described by MnCu3(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  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 Cu sites. In the first Cu site, Cu(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted CuO6 pentagonal pyramids that share corners with four equivalent Cu(3)O6 pentagonal pyramids,  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. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms. In the third Cu site, Cu(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted CuO6 pentagonal pyramids that share corners with four equivalent Cu(1)O6 pentagonal pyramids,  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. 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 Cu(3)O6 pentagonal pyramid, corners with two equivalent Cu(1)O6 pentagonal pyramids, and  an edgeedge with one Cu(3)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 48°. 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 Cu(3)O6 pentagonal pyramid, and  an edgeedge with one Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. 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 Cu(1)O6 pentagonal pyramid, corners with two equivalent Cu(3)O6 pentagonal pyramids, and  an edgeedge with one Cu(1)O6 pentagonal pyramid. 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 corners with two equivalent Mn(1)O6 octahedra and  a cornercorner with one Cu(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Cu(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cu(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Cu(1), one Cu(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Cu(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 Cu(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cu(1) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MnCu3(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.941
_cell_length_b   4.883
_cell_length_c   9.749
_cell_angle_alpha   89.057
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   282.727
_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  0.061  0.715  1.0
  Cu  Cu1  1  0.500  0.929  0.285  1.0
  Cu  Cu2  1  0.500  0.597  0.789  1.0
  Cu  Cu3  1  0.000  0.426  0.217  1.0
  P  P4  1  0.000  0.908  0.402  1.0
  P  P5  1  0.000  0.583  0.904  1.0
  P  P6  1  0.500  0.423  0.100  1.0
  P  P7  1  0.500  0.084  0.597  1.0
  O  O8  1  0.000  0.838  0.557  1.0
  O  O9  1  0.202  0.762  0.330  1.0
  O  O10  1  0.798  0.762  0.330  1.0
  O  O11  1  0.500  0.768  0.617  1.0
  O  O12  1  0.500  0.735  0.119  1.0
  O  O13  1  0.199  0.741  0.830  1.0
  O  O14  1  0.801  0.741  0.830  1.0
  O  O15  1  0.000  0.648  0.058  1.0
  O  O16  1  0.500  0.369  0.944  1.0
  O  O17  1  0.702  0.266  0.170  1.0
  O  O18  1  0.298  0.266  0.170  1.0
  O  O19  1  0.000  0.274  0.879  1.0
  O  O20  1  0.000  0.223  0.385  1.0
  O  O21  1  0.705  0.225  0.667  1.0
  O  O22  1  0.295  0.225  0.667  1.0
  O  O23  1  0.500  0.147  0.441  1.0
[/CIF]
.