The material described by CrMn2(PO4)3 crystallizes in the trigonal R-3c space group. Cr(1) is bonded to six equivalent O(2) atoms to form distorted CrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and faces with two equivalent Mn(1)O6 octahedra. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one Cr(1)O6 octahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-53°. There are two 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 3-coordinate geometry to one Cr(1), one Mn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Mn2Cr(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.445
_cell_length_b   8.445
_cell_length_c   8.445
_cell_angle_alpha   61.613
_cell_angle_beta   61.613
_cell_angle_gamma   61.613
_symmetry_Int_Tables_number   1
_cell_volume   441.307
_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  0.855  0.855  0.855  1.0
  Mn  Mn1  1  0.645  0.645  0.645  1.0
  Mn  Mn2  1  0.355  0.355  0.355  1.0
  Mn  Mn3  1  0.145  0.145  0.145  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.500  0.500  0.500  1.0
  P  P6  1  0.952  0.250  0.548  1.0
  P  P7  1  0.548  0.952  0.250  1.0
  P  P8  1  0.250  0.548  0.952  1.0
  P  P9  1  0.750  0.452  0.048  1.0
  P  P10  1  0.452  0.048  0.750  1.0
  P  P11  1  0.048  0.750  0.452  1.0
  O  O12  1  0.894  0.682  0.488  1.0
  O  O13  1  0.682  0.488  0.894  1.0
  O  O14  1  0.937  0.095  0.751  1.0
  O  O15  1  0.488  0.894  0.682  1.0
  O  O16  1  0.988  0.182  0.394  1.0
  O  O17  1  0.749  0.405  0.563  1.0
  O  O18  1  0.751  0.937  0.095  1.0
  O  O19  1  0.563  0.749  0.405  1.0
  O  O20  1  0.818  0.606  0.012  1.0
  O  O21  1  0.405  0.563  0.749  1.0
  O  O22  1  0.905  0.249  0.063  1.0
  O  O23  1  0.606  0.012  0.818  1.0
  O  O24  1  0.394  0.988  0.182  1.0
  O  O25  1  0.095  0.751  0.937  1.0
  O  O26  1  0.595  0.437  0.251  1.0
  O  O27  1  0.182  0.394  0.988  1.0
  O  O28  1  0.437  0.251  0.595  1.0
  O  O29  1  0.249  0.063  0.905  1.0
  O  O30  1  0.251  0.595  0.437  1.0
  O  O31  1  0.012  0.818  0.606  1.0
  O  O32  1  0.512  0.106  0.318  1.0
  O  O33  1  0.063  0.905  0.249  1.0
  O  O34  1  0.318  0.512  0.106  1.0
  O  O35  1  0.106  0.318  0.512  1.0
[/CIF]
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The material described by CrMn2(PO4)3 crystallizes in the trigonal R-3c space group. Cr(1) is bonded to six equivalent O(2) atoms to form distorted CrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and faces with two equivalent Mn(1)O6 octahedra. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and  a faceface with one Cr(1)O6 octahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-53°. There are two 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 3-coordinate geometry to one Cr(1), one Mn(1), and one P(1) atom. is represented by the CIF file [CIF]
data_Mn2Cr(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.445
_cell_length_b   8.445
_cell_length_c   8.445
_cell_angle_alpha   61.613
_cell_angle_beta   61.613
_cell_angle_gamma   61.613
_symmetry_Int_Tables_number   1
_cell_volume   441.307
_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  0.855  0.855  0.855  1.0
  Mn  Mn1  1  0.645  0.645  0.645  1.0
  Mn  Mn2  1  0.355  0.355  0.355  1.0
  Mn  Mn3  1  0.145  0.145  0.145  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.500  0.500  0.500  1.0
  P  P6  1  0.952  0.250  0.548  1.0
  P  P7  1  0.548  0.952  0.250  1.0
  P  P8  1  0.250  0.548  0.952  1.0
  P  P9  1  0.750  0.452  0.048  1.0
  P  P10  1  0.452  0.048  0.750  1.0
  P  P11  1  0.048  0.750  0.452  1.0
  O  O12  1  0.894  0.682  0.488  1.0
  O  O13  1  0.682  0.488  0.894  1.0
  O  O14  1  0.937  0.095  0.751  1.0
  O  O15  1  0.488  0.894  0.682  1.0
  O  O16  1  0.988  0.182  0.394  1.0
  O  O17  1  0.749  0.405  0.563  1.0
  O  O18  1  0.751  0.937  0.095  1.0
  O  O19  1  0.563  0.749  0.405  1.0
  O  O20  1  0.818  0.606  0.012  1.0
  O  O21  1  0.405  0.563  0.749  1.0
  O  O22  1  0.905  0.249  0.063  1.0
  O  O23  1  0.606  0.012  0.818  1.0
  O  O24  1  0.394  0.988  0.182  1.0
  O  O25  1  0.095  0.751  0.937  1.0
  O  O26  1  0.595  0.437  0.251  1.0
  O  O27  1  0.182  0.394  0.988  1.0
  O  O28  1  0.437  0.251  0.595  1.0
  O  O29  1  0.249  0.063  0.905  1.0
  O  O30  1  0.251  0.595  0.437  1.0
  O  O31  1  0.012  0.818  0.606  1.0
  O  O32  1  0.512  0.106  0.318  1.0
  O  O33  1  0.063  0.905  0.249  1.0
  O  O34  1  0.318  0.512  0.106  1.0
  O  O35  1  0.106  0.318  0.512  1.0
[/CIF]
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