The crystal structure described by Mn2Cu(PO4)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(12), one O(3), one O(5), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(11), two equivalent O(3), and two equivalent O(7) atoms. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to two equivalent O(10), two equivalent O(6), and two equivalent O(8) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-48°. In the second P site, P(2) is bonded to one O(12), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-48°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(2), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 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(2), one Cu(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1), one Cu(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mn(2), one Cu(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(2), one Cu(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(1), one Cu(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. is represented by the CIF file [CIF]
data_Mn2Cu(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.801
_cell_length_b   8.272
_cell_length_c   8.547
_cell_angle_alpha   60.832
_cell_angle_beta   58.857
_cell_angle_gamma   60.512
_symmetry_Int_Tables_number   1
_cell_volume   440.370
_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  0.148  0.138  0.143  1.0
  Mn  Mn1  1  0.357  0.360  0.358  1.0
  Mn  Mn2  1  0.643  0.640  0.642  1.0
  Mn  Mn3  1  0.852  0.862  0.857  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  P  P6  1  0.033  0.752  0.457  1.0
  P  P7  1  0.458  0.051  0.747  1.0
  P  P8  1  0.746  0.455  0.036  1.0
  P  P9  1  0.254  0.545  0.964  1.0
  P  P10  1  0.542  0.949  0.253  1.0
  P  P11  1  0.967  0.248  0.543  1.0
  O  O12  1  0.126  0.305  0.509  1.0
  O  O13  1  0.318  0.501  0.121  1.0
  O  O14  1  0.057  0.915  0.257  1.0
  O  O15  1  0.506  0.113  0.317  1.0
  O  O16  1  0.998  0.815  0.616  1.0
  O  O17  1  0.226  0.586  0.442  1.0
  O  O18  1  0.261  0.065  0.912  1.0
  O  O19  1  0.439  0.254  0.579  1.0
  O  O20  1  0.184  0.390  0.998  1.0
  O  O21  1  0.574  0.454  0.236  1.0
  O  O22  1  0.101  0.748  0.946  1.0
  O  O23  1  0.392  0.974  0.198  1.0
  O  O24  1  0.608  0.026  0.802  1.0
  O  O25  1  0.899  0.252  0.054  1.0
  O  O26  1  0.426  0.546  0.764  1.0
  O  O27  1  0.816  0.610  0.002  1.0
  O  O28  1  0.561  0.746  0.421  1.0
  O  O29  1  0.739  0.935  0.088  1.0
  O  O30  1  0.774  0.414  0.558  1.0
  O  O31  1  0.002  0.185  0.384  1.0
  O  O32  1  0.494  0.887  0.683  1.0
  O  O33  1  0.943  0.085  0.743  1.0
  O  O34  1  0.682  0.499  0.879  1.0
  O  O35  1  0.874  0.695  0.491  1.0
[/CIF]
.
The crystal structure described by Mn2Cu(PO4)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(12), one O(3), one O(5), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(11), two equivalent O(3), and two equivalent O(7) atoms. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to two equivalent O(10), two equivalent O(6), and two equivalent O(8) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-48°. In the second P site, P(2) is bonded to one O(12), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-48°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(2), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 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(2), one Cu(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1), one Cu(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mn(2), one Cu(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(2), one Cu(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(1), one Cu(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. is represented by the CIF file [CIF]
data_Mn2Cu(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.801
_cell_length_b   8.272
_cell_length_c   8.547
_cell_angle_alpha   60.832
_cell_angle_beta   58.857
_cell_angle_gamma   60.512
_symmetry_Int_Tables_number   1
_cell_volume   440.370
_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  0.148  0.138  0.143  1.0
  Mn  Mn1  1  0.357  0.360  0.358  1.0
  Mn  Mn2  1  0.643  0.640  0.642  1.0
  Mn  Mn3  1  0.852  0.862  0.857  1.0
  Cu  Cu4  1  0.000  0.000  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  P  P6  1  0.033  0.752  0.457  1.0
  P  P7  1  0.458  0.051  0.747  1.0
  P  P8  1  0.746  0.455  0.036  1.0
  P  P9  1  0.254  0.545  0.964  1.0
  P  P10  1  0.542  0.949  0.253  1.0
  P  P11  1  0.967  0.248  0.543  1.0
  O  O12  1  0.126  0.305  0.509  1.0
  O  O13  1  0.318  0.501  0.121  1.0
  O  O14  1  0.057  0.915  0.257  1.0
  O  O15  1  0.506  0.113  0.317  1.0
  O  O16  1  0.998  0.815  0.616  1.0
  O  O17  1  0.226  0.586  0.442  1.0
  O  O18  1  0.261  0.065  0.912  1.0
  O  O19  1  0.439  0.254  0.579  1.0
  O  O20  1  0.184  0.390  0.998  1.0
  O  O21  1  0.574  0.454  0.236  1.0
  O  O22  1  0.101  0.748  0.946  1.0
  O  O23  1  0.392  0.974  0.198  1.0
  O  O24  1  0.608  0.026  0.802  1.0
  O  O25  1  0.899  0.252  0.054  1.0
  O  O26  1  0.426  0.546  0.764  1.0
  O  O27  1  0.816  0.610  0.002  1.0
  O  O28  1  0.561  0.746  0.421  1.0
  O  O29  1  0.739  0.935  0.088  1.0
  O  O30  1  0.774  0.414  0.558  1.0
  O  O31  1  0.002  0.185  0.384  1.0
  O  O32  1  0.494  0.887  0.683  1.0
  O  O33  1  0.943  0.085  0.743  1.0
  O  O34  1  0.682  0.499  0.879  1.0
  O  O35  1  0.874  0.695  0.491  1.0
[/CIF]
.