The material described by MnCoB2O5 crystallizes in the triclinic P-1 space group. Mn(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra and edges with two equivalent Co(1)O6 octahedra. Co(1) is bonded to one O(1), two equivalent O(4), and three equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra and edges with four equivalent Co(1)O6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mn(1), one Co(1), and one B(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Co(1) and one B(2) atom. In the fourth O site, O(4) is bonded to one Mn(1), two equivalent Co(1), and one B(1) atom to form distorted corner-sharing OMnCo2B tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one B(1) atom. is represented by the CIF card [CIF]
data_MnCoB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.257
_cell_length_b   6.260
_cell_length_c   9.516
_cell_angle_alpha   104.387
_cell_angle_beta   90.330
_cell_angle_gamma   91.308
_symmetry_Int_Tables_number   1
_cell_volume   187.836
_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  0.253  0.784  0.638  1.0
  Mn  Mn1  1  0.747  0.216  0.362  1.0
  Co  Co2  1  0.765  0.627  0.901  1.0
  Co  Co3  1  0.235  0.373  0.099  1.0
  B  B4  1  0.318  0.320  0.653  1.0
  B  B5  1  0.682  0.680  0.347  1.0
  B  B6  1  0.672  0.120  0.834  1.0
  B  B7  1  0.328  0.880  0.166  1.0
  O  O8  1  0.787  0.909  0.822  1.0
  O  O9  1  0.213  0.091  0.178  1.0
  O  O10  1  0.457  0.142  0.706  1.0
  O  O11  1  0.543  0.858  0.294  1.0
  O  O12  1  0.739  0.303  0.947  1.0
  O  O13  1  0.262  0.697  0.053  1.0
  O  O14  1  0.275  0.523  0.749  1.0
  O  O15  1  0.724  0.477  0.251  1.0
  O  O16  1  0.243  0.281  0.508  1.0
  O  O17  1  0.757  0.720  0.492  1.0
[/CIF]
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The material described by MnCoB2O5 crystallizes in the triclinic P-1 space group. Mn(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra and edges with two equivalent Co(1)O6 octahedra. Co(1) is bonded to one O(1), two equivalent O(4), and three equivalent O(3) atoms to form CoO6 octahedra that share edges with two equivalent Mn(1)O6 octahedra and edges with four equivalent Co(1)O6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mn(1), one Co(1), and one B(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(1), one B(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Co(1) and one B(2) atom. In the fourth O site, O(4) is bonded to one Mn(1), two equivalent Co(1), and one B(1) atom to form distorted corner-sharing OMnCo2B tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one B(1) atom. is represented by the CIF card [CIF]
data_MnCoB2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.257
_cell_length_b   6.260
_cell_length_c   9.516
_cell_angle_alpha   104.387
_cell_angle_beta   90.330
_cell_angle_gamma   91.308
_symmetry_Int_Tables_number   1
_cell_volume   187.836
_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  0.253  0.784  0.638  1.0
  Mn  Mn1  1  0.747  0.216  0.362  1.0
  Co  Co2  1  0.765  0.627  0.901  1.0
  Co  Co3  1  0.235  0.373  0.099  1.0
  B  B4  1  0.318  0.320  0.653  1.0
  B  B5  1  0.682  0.680  0.347  1.0
  B  B6  1  0.672  0.120  0.834  1.0
  B  B7  1  0.328  0.880  0.166  1.0
  O  O8  1  0.787  0.909  0.822  1.0
  O  O9  1  0.213  0.091  0.178  1.0
  O  O10  1  0.457  0.142  0.706  1.0
  O  O11  1  0.543  0.858  0.294  1.0
  O  O12  1  0.739  0.303  0.947  1.0
  O  O13  1  0.262  0.697  0.053  1.0
  O  O14  1  0.275  0.523  0.749  1.0
  O  O15  1  0.724  0.477  0.251  1.0
  O  O16  1  0.243  0.281  0.508  1.0
  O  O17  1  0.757  0.720  0.492  1.0
[/CIF]
.