The material described by MnCu(PO4)2 crystallizes in the monoclinic P2_1/m space group. Mn(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form distorted MnO6 pentagonal pyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 pentagonal pyramids. In the second P site, P(2) is bonded to one O(3), one O(4), and two equivalent O(6) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 pentagonal pyramid and  an edgeedge with one Mn(1)O6 pentagonal pyramid. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(1), one Cu(1), and one P(2) atom. is represented by the CIF card [CIF]
data_MnCu(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.160
_cell_length_b   10.104
_cell_length_c   6.049
_cell_angle_alpha   89.985
_cell_angle_beta   90.001
_cell_angle_gamma   94.206
_symmetry_Int_Tables_number   1
_cell_volume   314.515
_cell_formula_units_Z   2
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  0.590  0.803  0.250  1.0
  Mn  Mn1  1  0.411  0.197  0.750  1.0
  Cu  Cu2  1  0.850  0.313  0.250  1.0
  Cu  Cu3  1  0.150  0.687  0.750  1.0
  P  P4  1  0.414  0.104  0.250  1.0
  P  P5  1  0.586  0.896  0.750  1.0
  P  P6  1  0.945  0.387  0.750  1.0
  P  P7  1  0.055  0.613  0.250  1.0
  O  O8  1  0.620  0.050  0.750  1.0
  O  O9  1  0.379  0.950  0.250  1.0
  O  O10  1  0.713  0.139  0.250  1.0
  O  O11  1  0.287  0.861  0.750  1.0
  O  O12  1  0.232  0.359  0.750  1.0
  O  O13  1  0.768  0.641  0.250  1.0
  O  O14  1  0.081  0.461  0.250  1.0
  O  O15  1  0.918  0.539  0.750  1.0
  O  O16  1  0.281  0.162  0.047  1.0
  O  O17  1  0.280  0.162  0.453  1.0
  O  O18  1  0.720  0.838  0.547  1.0
  O  O19  1  0.720  0.838  0.953  1.0
  O  O20  1  0.780  0.321  0.944  1.0
  O  O21  1  0.779  0.321  0.556  1.0
  O  O22  1  0.221  0.679  0.056  1.0
  O  O23  1  0.221  0.679  0.444  1.0
[/CIF]
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The material described by MnCu(PO4)2 crystallizes in the monoclinic P2_1/m space group. Mn(1) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(6) atoms to form distorted MnO6 pentagonal pyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and  an edgeedge with one P(2)O4 tetrahedra. Cu(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 pentagonal pyramids. In the second P site, P(2) is bonded to one O(3), one O(4), and two equivalent O(6) atoms to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 pentagonal pyramid and  an edgeedge with one Mn(1)O6 pentagonal pyramid. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Cu(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(1), one Cu(1), and one P(2) atom. is represented by the CIF card [CIF]
data_MnCu(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.160
_cell_length_b   10.104
_cell_length_c   6.049
_cell_angle_alpha   89.985
_cell_angle_beta   90.001
_cell_angle_gamma   94.206
_symmetry_Int_Tables_number   1
_cell_volume   314.515
_cell_formula_units_Z   2
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  0.590  0.803  0.250  1.0
  Mn  Mn1  1  0.411  0.197  0.750  1.0
  Cu  Cu2  1  0.850  0.313  0.250  1.0
  Cu  Cu3  1  0.150  0.687  0.750  1.0
  P  P4  1  0.414  0.104  0.250  1.0
  P  P5  1  0.586  0.896  0.750  1.0
  P  P6  1  0.945  0.387  0.750  1.0
  P  P7  1  0.055  0.613  0.250  1.0
  O  O8  1  0.620  0.050  0.750  1.0
  O  O9  1  0.379  0.950  0.250  1.0
  O  O10  1  0.713  0.139  0.250  1.0
  O  O11  1  0.287  0.861  0.750  1.0
  O  O12  1  0.232  0.359  0.750  1.0
  O  O13  1  0.768  0.641  0.250  1.0
  O  O14  1  0.081  0.461  0.250  1.0
  O  O15  1  0.918  0.539  0.750  1.0
  O  O16  1  0.281  0.162  0.047  1.0
  O  O17  1  0.280  0.162  0.453  1.0
  O  O18  1  0.720  0.838  0.547  1.0
  O  O19  1  0.720  0.838  0.953  1.0
  O  O20  1  0.780  0.321  0.944  1.0
  O  O21  1  0.779  0.321  0.556  1.0
  O  O22  1  0.221  0.679  0.056  1.0
  O  O23  1  0.221  0.679  0.444  1.0
[/CIF]
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