The material structure described by CrMnO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form CrO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-63°. In the second Cr site, Cr(2) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form CrO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-55°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Cr(1)O4 tetrahedra, corners with four equivalent Cr(2)O4 tetrahedra, and edges with two equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Cr(2)O4 tetrahedra, corners with four equivalent Cr(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted edge-sharing OMn3Cr tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one Mn(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Cr(1) and one Mn(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cr(2), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_MnCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.967
_cell_length_b   6.967
_cell_length_c   6.961
_cell_angle_alpha   79.768
_cell_angle_beta   79.768
_cell_angle_gamma   85.528
_symmetry_Int_Tables_number   1
_cell_volume   326.830
_cell_formula_units_Z   4
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  0.792  0.792  0.868  1.0
  Mn  Mn1  1  0.815  0.185  0.500  1.0
  Mn  Mn2  1  0.185  0.815  0.500  1.0
  Mn  Mn3  1  0.208  0.208  0.132  1.0
  Cr  Cr4  1  0.726  0.726  0.411  1.0
  Cr  Cr5  1  0.745  0.255  0.000  1.0
  Cr  Cr6  1  0.255  0.745  0.000  1.0
  Cr  Cr7  1  0.274  0.274  0.589  1.0
  O  O8  1  0.856  0.856  0.537  1.0
  O  O9  1  0.789  0.789  0.170  1.0
  O  O10  1  0.780  0.483  0.896  1.0
  O  O11  1  0.483  0.780  0.896  1.0
  O  O12  1  0.493  0.784  0.476  1.0
  O  O13  1  0.784  0.493  0.476  1.0
  O  O14  1  0.112  0.799  0.819  1.0
  O  O15  1  0.799  0.112  0.819  1.0
  O  O16  1  0.888  0.201  0.181  1.0
  O  O17  1  0.201  0.888  0.181  1.0
  O  O18  1  0.507  0.216  0.524  1.0
  O  O19  1  0.216  0.507  0.524  1.0
  O  O20  1  0.517  0.220  0.104  1.0
  O  O21  1  0.220  0.517  0.104  1.0
  O  O22  1  0.211  0.211  0.830  1.0
  O  O23  1  0.144  0.144  0.463  1.0
[/CIF]
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The material structure described by CrMnO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form CrO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with four equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 15-63°. In the second Cr site, Cr(2) is bonded to two equivalent O(3) and two equivalent O(5) atoms to form CrO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra and corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-55°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Cr(1)O4 tetrahedra, corners with four equivalent Cr(2)O4 tetrahedra, and edges with two equivalent Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Cr(2)O4 tetrahedra, corners with four equivalent Cr(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Cr(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted edge-sharing OMn3Cr tetrahedra. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one Mn(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one Mn(1) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Cr(1) and one Mn(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Cr(2), one Mn(1), and one Mn(2) atom. is represented by the CIF file [CIF]
data_MnCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.967
_cell_length_b   6.967
_cell_length_c   6.961
_cell_angle_alpha   79.768
_cell_angle_beta   79.768
_cell_angle_gamma   85.528
_symmetry_Int_Tables_number   1
_cell_volume   326.830
_cell_formula_units_Z   4
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  0.792  0.792  0.868  1.0
  Mn  Mn1  1  0.815  0.185  0.500  1.0
  Mn  Mn2  1  0.185  0.815  0.500  1.0
  Mn  Mn3  1  0.208  0.208  0.132  1.0
  Cr  Cr4  1  0.726  0.726  0.411  1.0
  Cr  Cr5  1  0.745  0.255  0.000  1.0
  Cr  Cr6  1  0.255  0.745  0.000  1.0
  Cr  Cr7  1  0.274  0.274  0.589  1.0
  O  O8  1  0.856  0.856  0.537  1.0
  O  O9  1  0.789  0.789  0.170  1.0
  O  O10  1  0.780  0.483  0.896  1.0
  O  O11  1  0.483  0.780  0.896  1.0
  O  O12  1  0.493  0.784  0.476  1.0
  O  O13  1  0.784  0.493  0.476  1.0
  O  O14  1  0.112  0.799  0.819  1.0
  O  O15  1  0.799  0.112  0.819  1.0
  O  O16  1  0.888  0.201  0.181  1.0
  O  O17  1  0.201  0.888  0.181  1.0
  O  O18  1  0.507  0.216  0.524  1.0
  O  O19  1  0.216  0.507  0.524  1.0
  O  O20  1  0.517  0.220  0.104  1.0
  O  O21  1  0.220  0.517  0.104  1.0
  O  O22  1  0.211  0.211  0.830  1.0
  O  O23  1  0.144  0.144  0.463  1.0
[/CIF]
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