The material described by CrMn3(PO4)4 crystallizes in the monoclinic Pm space group. Cr(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with four equivalent Mn(2)O6 octahedra,  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. The corner-sharing octahedral tilt angles range from 48-50°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted MnO6 pentagonal pyramids that share corners with four equivalent Mn(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 50-51°. In the second Mn site, Mn(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share corners with four equivalent Cr(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 range from 48-50°. In the third Mn site, Mn(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(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 Cr(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 pentagonal pyramids, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. 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 Cr(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. 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 Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Mn(1)O6 pentagonal pyramid, and  an edgeedge with one Mn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 43-53°. 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 Mn(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Mn(1)O6 pentagonal pyramid, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cr(1), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Cr(1), one Mn(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Cr(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.972
_cell_length_b   4.863
_cell_length_c   9.857
_cell_angle_alpha   89.278
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   286.257
_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  0.500  0.932  0.285  1.0
  Mn  Mn1  1  0.500  0.565  0.780  1.0
  Mn  Mn2  1  0.000  0.434  0.217  1.0
  Cr  Cr3  1  0.000  0.038  0.724  1.0
  P  P4  1  0.000  0.907  0.402  1.0
  P  P5  1  0.000  0.588  0.903  1.0
  P  P6  1  0.500  0.416  0.099  1.0
  P  P7  1  0.500  0.091  0.598  1.0
  O  O8  1  0.000  0.838  0.553  1.0
  O  O9  1  0.201  0.766  0.329  1.0
  O  O10  1  0.799  0.766  0.329  1.0
  O  O11  1  0.500  0.774  0.617  1.0
  O  O12  1  0.500  0.730  0.119  1.0
  O  O13  1  0.198  0.744  0.828  1.0
  O  O14  1  0.802  0.744  0.828  1.0
  O  O15  1  0.000  0.659  0.054  1.0
  O  O16  1  0.500  0.358  0.945  1.0
  O  O17  1  0.701  0.269  0.170  1.0
  O  O18  1  0.299  0.269  0.170  1.0
  O  O19  1  0.000  0.280  0.884  1.0
  O  O20  1  0.000  0.222  0.381  1.0
  O  O21  1  0.704  0.230  0.670  1.0
  O  O22  1  0.296  0.230  0.670  1.0
  O  O23  1  0.500  0.151  0.445  1.0
[/CIF]
.
The material described by CrMn3(PO4)4 crystallizes in the monoclinic Pm space group. Cr(1) is bonded to one O(1), one O(9), two equivalent O(11), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with four equivalent Mn(2)O6 octahedra,  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. The corner-sharing octahedral tilt angles range from 48-50°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(12), one O(4), two equivalent O(2), and two equivalent O(8) atoms to form distorted MnO6 pentagonal pyramids that share corners with four equivalent Mn(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 50-51°. In the second Mn site, Mn(2) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share corners with four equivalent Cr(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 range from 48-50°. In the third Mn site, Mn(3) is bonded to one O(10), one O(6), two equivalent O(2), and two equivalent O(8) atoms to form distorted MnO6 octahedra that share corners with four equivalent Mn(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 Cr(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 pentagonal pyramids, and  an edgeedge with one Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-50°. 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 Cr(1)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-56°. 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 Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  a cornercorner with one Mn(1)O6 pentagonal pyramid, and  an edgeedge with one Mn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 43-53°. 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 Mn(2)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra,  a cornercorner with one Mn(1)O6 pentagonal pyramid, and  an edgeedge with one Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(4) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cr(1), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Mn(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Cr(1), one Mn(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn3Cr(PO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.972
_cell_length_b   4.863
_cell_length_c   9.857
_cell_angle_alpha   89.278
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   286.257
_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  0.500  0.932  0.285  1.0
  Mn  Mn1  1  0.500  0.565  0.780  1.0
  Mn  Mn2  1  0.000  0.434  0.217  1.0
  Cr  Cr3  1  0.000  0.038  0.724  1.0
  P  P4  1  0.000  0.907  0.402  1.0
  P  P5  1  0.000  0.588  0.903  1.0
  P  P6  1  0.500  0.416  0.099  1.0
  P  P7  1  0.500  0.091  0.598  1.0
  O  O8  1  0.000  0.838  0.553  1.0
  O  O9  1  0.201  0.766  0.329  1.0
  O  O10  1  0.799  0.766  0.329  1.0
  O  O11  1  0.500  0.774  0.617  1.0
  O  O12  1  0.500  0.730  0.119  1.0
  O  O13  1  0.198  0.744  0.828  1.0
  O  O14  1  0.802  0.744  0.828  1.0
  O  O15  1  0.000  0.659  0.054  1.0
  O  O16  1  0.500  0.358  0.945  1.0
  O  O17  1  0.701  0.269  0.170  1.0
  O  O18  1  0.299  0.269  0.170  1.0
  O  O19  1  0.000  0.280  0.884  1.0
  O  O20  1  0.000  0.222  0.381  1.0
  O  O21  1  0.704  0.230  0.670  1.0
  O  O22  1  0.296  0.230  0.670  1.0
  O  O23  1  0.500  0.151  0.445  1.0
[/CIF]
.