The material described by Mn5Cu(PO4)4 crystallizes in the monoclinic P2_1 space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(15), one O(16), one O(7), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  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 edges with two equivalent Mn(2)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(10), one O(15), one O(16), one O(8), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and edges with two equivalent Mn(1)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(4), one O(5), and one O(6) atom. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(2), one O(3), one O(5), and one O(6) atom. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(12), one O(13), one O(3), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  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  a cornercorner with one Mn(2)O5 trigonal bipyramid. Cu(1) is bonded in a distorted see-saw-like geometry to one O(11), one O(14), one O(2), and one O(7) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(15), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids, and corners with two equivalent Mn(5)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(14), one O(16), one O(2), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and corners with two equivalent Mn(2)O5 trigonal bipyramids. In the third P site, P(3) is bonded to one O(11), one O(3), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(5)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(5)O5 trigonal bipyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(4), one Cu(1), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(4), one Mn(5), and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one P(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Cu(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(5), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mn(3), one Cu(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(5), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Cu(1), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. is represented by the CIF file [CIF]
data_Mn5Cu(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.172
_cell_length_b   8.972
_cell_length_c   11.740
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.734
_symmetry_Int_Tables_number   1
_cell_volume   642.556
_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  0.123  0.871  0.194  1.0
  Mn  Mn1  1  0.377  0.129  0.694  1.0
  Mn  Mn2  1  0.877  0.131  0.805  1.0
  Mn  Mn3  1  0.623  0.869  0.305  1.0
  Mn  Mn4  1  0.340  0.447  0.388  1.0
  Mn  Mn5  1  0.160  0.553  0.888  1.0
  Mn  Mn6  1  0.663  0.558  0.615  1.0
  Mn  Mn7  1  0.837  0.442  0.115  1.0
  Mn  Mn8  1  0.830  0.228  0.429  1.0
  Mn  Mn9  1  0.670  0.772  0.929  1.0
  Cu  Cu10  1  0.173  0.800  0.551  1.0
  Cu  Cu11  1  0.327  0.200  0.051  1.0
  P  P12  1  0.304  0.108  0.414  1.0
  P  P13  1  0.196  0.892  0.914  1.0
  P  P14  1  0.692  0.893  0.580  1.0
  P  P15  1  0.808  0.107  0.080  1.0
  P  P16  1  0.892  0.593  0.362  1.0
  P  P17  1  0.608  0.407  0.862  1.0
  P  P18  1  0.110  0.409  0.642  1.0
  P  P19  1  0.390  0.591  0.142  1.0
  O  O20  1  0.510  0.229  0.421  1.0
  O  O21  1  0.990  0.771  0.921  1.0
  O  O22  1  0.478  0.774  0.574  1.0
  O  O23  1  0.022  0.226  0.074  1.0
  O  O24  1  0.911  0.447  0.293  1.0
  O  O25  1  0.589  0.553  0.793  1.0
  O  O26  1  0.086  0.548  0.715  1.0
  O  O27  1  0.414  0.452  0.215  1.0
  O  O28  1  0.677  0.571  0.433  1.0
  O  O29  1  0.823  0.429  0.933  1.0
  O  O30  1  0.325  0.431  0.570  1.0
  O  O31  1  0.175  0.569  0.070  1.0
  O  O32  1  0.254  0.033  0.534  1.0
  O  O33  1  0.246  0.967  0.034  1.0
  O  O34  1  0.742  0.972  0.463  1.0
  O  O35  1  0.758  0.028  0.963  1.0
  O  O36  1  0.876  0.727  0.279  1.0
  O  O37  1  0.624  0.273  0.779  1.0
  O  O38  1  0.127  0.269  0.719  1.0
  O  O39  1  0.373  0.731  0.219  1.0
  O  O40  1  0.104  0.627  0.435  1.0
  O  O41  1  0.396  0.373  0.935  1.0
  O  O42  1  0.899  0.375  0.568  1.0
  O  O43  1  0.601  0.625  0.068  1.0
  O  O44  1  0.127  0.201  0.376  1.0
  O  O45  1  0.373  0.799  0.876  1.0
  O  O46  1  0.875  0.795  0.610  1.0
  O  O47  1  0.625  0.205  0.110  1.0
  O  O48  1  0.329  0.984  0.326  1.0
  O  O49  1  0.171  0.016  0.826  1.0
  O  O50  1  0.673  0.011  0.674  1.0
  O  O51  1  0.827  0.989  0.174  1.0
[/CIF]
.
The material described by Mn5Cu(PO4)4 crystallizes in the monoclinic P2_1 space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(15), one O(16), one O(7), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  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 edges with two equivalent Mn(2)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(10), one O(15), one O(16), one O(8), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and edges with two equivalent Mn(1)O5 trigonal bipyramids. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one O(11), one O(13), one O(4), one O(5), and one O(6) atom. In the fourth Mn site, Mn(4) is bonded in a 6-coordinate geometry to one O(12), one O(14), one O(2), one O(3), one O(5), and one O(6) atom. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(12), one O(13), one O(3), and one O(8) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra,  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  a cornercorner with one Mn(2)O5 trigonal bipyramid. Cu(1) is bonded in a distorted see-saw-like geometry to one O(11), one O(14), one O(2), and one O(7) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(13), one O(15), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O5 trigonal bipyramid, corners with two equivalent Mn(1)O5 trigonal bipyramids, and corners with two equivalent Mn(5)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(14), one O(16), one O(2), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(5)O5 trigonal bipyramid, and corners with two equivalent Mn(2)O5 trigonal bipyramids. In the third P site, P(3) is bonded to one O(11), one O(3), one O(5), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(5)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(10), one O(12), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  a cornercorner with one Mn(5)O5 trigonal bipyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(4), one Cu(1), and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(4), one Mn(5), and one P(3) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one P(4) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Cu(1), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(5), and one P(2) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Mn(3), one Cu(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Mn(4), one Mn(5), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(5), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Cu(1), and one P(2) atom. In the fifteenth O site, O(15) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. is represented by the CIF file [CIF]
data_Mn5Cu(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.172
_cell_length_b   8.972
_cell_length_c   11.740
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   98.734
_symmetry_Int_Tables_number   1
_cell_volume   642.556
_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  0.123  0.871  0.194  1.0
  Mn  Mn1  1  0.377  0.129  0.694  1.0
  Mn  Mn2  1  0.877  0.131  0.805  1.0
  Mn  Mn3  1  0.623  0.869  0.305  1.0
  Mn  Mn4  1  0.340  0.447  0.388  1.0
  Mn  Mn5  1  0.160  0.553  0.888  1.0
  Mn  Mn6  1  0.663  0.558  0.615  1.0
  Mn  Mn7  1  0.837  0.442  0.115  1.0
  Mn  Mn8  1  0.830  0.228  0.429  1.0
  Mn  Mn9  1  0.670  0.772  0.929  1.0
  Cu  Cu10  1  0.173  0.800  0.551  1.0
  Cu  Cu11  1  0.327  0.200  0.051  1.0
  P  P12  1  0.304  0.108  0.414  1.0
  P  P13  1  0.196  0.892  0.914  1.0
  P  P14  1  0.692  0.893  0.580  1.0
  P  P15  1  0.808  0.107  0.080  1.0
  P  P16  1  0.892  0.593  0.362  1.0
  P  P17  1  0.608  0.407  0.862  1.0
  P  P18  1  0.110  0.409  0.642  1.0
  P  P19  1  0.390  0.591  0.142  1.0
  O  O20  1  0.510  0.229  0.421  1.0
  O  O21  1  0.990  0.771  0.921  1.0
  O  O22  1  0.478  0.774  0.574  1.0
  O  O23  1  0.022  0.226  0.074  1.0
  O  O24  1  0.911  0.447  0.293  1.0
  O  O25  1  0.589  0.553  0.793  1.0
  O  O26  1  0.086  0.548  0.715  1.0
  O  O27  1  0.414  0.452  0.215  1.0
  O  O28  1  0.677  0.571  0.433  1.0
  O  O29  1  0.823  0.429  0.933  1.0
  O  O30  1  0.325  0.431  0.570  1.0
  O  O31  1  0.175  0.569  0.070  1.0
  O  O32  1  0.254  0.033  0.534  1.0
  O  O33  1  0.246  0.967  0.034  1.0
  O  O34  1  0.742  0.972  0.463  1.0
  O  O35  1  0.758  0.028  0.963  1.0
  O  O36  1  0.876  0.727  0.279  1.0
  O  O37  1  0.624  0.273  0.779  1.0
  O  O38  1  0.127  0.269  0.719  1.0
  O  O39  1  0.373  0.731  0.219  1.0
  O  O40  1  0.104  0.627  0.435  1.0
  O  O41  1  0.396  0.373  0.935  1.0
  O  O42  1  0.899  0.375  0.568  1.0
  O  O43  1  0.601  0.625  0.068  1.0
  O  O44  1  0.127  0.201  0.376  1.0
  O  O45  1  0.373  0.799  0.876  1.0
  O  O46  1  0.875  0.795  0.610  1.0
  O  O47  1  0.625  0.205  0.110  1.0
  O  O48  1  0.329  0.984  0.326  1.0
  O  O49  1  0.171  0.016  0.826  1.0
  O  O50  1  0.673  0.011  0.674  1.0
  O  O51  1  0.827  0.989  0.174  1.0
[/CIF]
.