The compound described by CrMnO4 crystallizes in the monoclinic P2_1/c space group. Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one Mn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cr(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_MnCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.302
_cell_length_b   5.449
_cell_length_c   8.349
_cell_angle_alpha   54.773
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   308.560
_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  0.545  0.882  0.352  1.0
  Mn  Mn1  1  0.045  0.118  0.148  1.0
  Mn  Mn2  1  0.955  0.882  0.852  1.0
  Mn  Mn3  1  0.455  0.118  0.648  1.0
  Cr  Cr4  1  0.691  0.382  0.857  1.0
  Cr  Cr5  1  0.191  0.618  0.643  1.0
  Cr  Cr6  1  0.809  0.382  0.357  1.0
  Cr  Cr7  1  0.309  0.618  0.143  1.0
  O  O8  1  0.765  0.720  0.300  1.0
  O  O9  1  0.606  0.416  0.660  1.0
  O  O10  1  0.863  0.174  0.919  1.0
  O  O11  1  0.066  0.789  0.457  1.0
  O  O12  1  0.566  0.211  0.043  1.0
  O  O13  1  0.363  0.826  0.581  1.0
  O  O14  1  0.106  0.584  0.840  1.0
  O  O15  1  0.735  0.720  0.800  1.0
  O  O16  1  0.265  0.280  0.200  1.0
  O  O17  1  0.894  0.416  0.160  1.0
  O  O18  1  0.637  0.174  0.419  1.0
  O  O19  1  0.434  0.789  0.957  1.0
  O  O20  1  0.934  0.211  0.543  1.0
  O  O21  1  0.137  0.826  0.081  1.0
  O  O22  1  0.394  0.584  0.340  1.0
  O  O23  1  0.235  0.280  0.700  1.0
[/CIF]
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The compound described by CrMnO4 crystallizes in the monoclinic P2_1/c space group. Cr(1) is bonded in a tetrahedral geometry to one O(1), one O(2), one O(3), and one O(4) atom. Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1) and one Mn(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cr(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Cr(1) and two equivalent Mn(1) atoms. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_MnCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.302
_cell_length_b   5.449
_cell_length_c   8.349
_cell_angle_alpha   54.773
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   308.560
_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  0.545  0.882  0.352  1.0
  Mn  Mn1  1  0.045  0.118  0.148  1.0
  Mn  Mn2  1  0.955  0.882  0.852  1.0
  Mn  Mn3  1  0.455  0.118  0.648  1.0
  Cr  Cr4  1  0.691  0.382  0.857  1.0
  Cr  Cr5  1  0.191  0.618  0.643  1.0
  Cr  Cr6  1  0.809  0.382  0.357  1.0
  Cr  Cr7  1  0.309  0.618  0.143  1.0
  O  O8  1  0.765  0.720  0.300  1.0
  O  O9  1  0.606  0.416  0.660  1.0
  O  O10  1  0.863  0.174  0.919  1.0
  O  O11  1  0.066  0.789  0.457  1.0
  O  O12  1  0.566  0.211  0.043  1.0
  O  O13  1  0.363  0.826  0.581  1.0
  O  O14  1  0.106  0.584  0.840  1.0
  O  O15  1  0.735  0.720  0.800  1.0
  O  O16  1  0.265  0.280  0.200  1.0
  O  O17  1  0.894  0.416  0.160  1.0
  O  O18  1  0.637  0.174  0.419  1.0
  O  O19  1  0.434  0.789  0.957  1.0
  O  O20  1  0.934  0.211  0.543  1.0
  O  O21  1  0.137  0.826  0.081  1.0
  O  O22  1  0.394  0.584  0.340  1.0
  O  O23  1  0.235  0.280  0.700  1.0
[/CIF]
.