The compound described by Mg2Co2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Ima2 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. In the second Co site, Co(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form CoO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Co(1), and one Co(2) atom to form distorted corner-sharing OMg2Co2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Co(2) atoms to form corner-sharing OMg2Co2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Co2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.730
_cell_length_b   7.730
_cell_length_c   7.730
_cell_angle_alpha   140.649
_cell_angle_beta   140.612
_cell_angle_gamma   56.898
_symmetry_Int_Tables_number   1
_cell_volume   184.319
_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
  Mg  Mg0  1  0.411  0.886  0.523  1.0
  Mg  Mg1  1  0.638  0.114  0.525  1.0
  Mg  Mg2  1  0.911  0.388  0.525  1.0
  Mg  Mg3  1  0.138  0.612  0.523  1.0
  Co  Co4  1  0.980  0.000  0.980  1.0
  Co  Co5  1  0.480  0.500  0.980  1.0
  Co  Co6  1  0.791  0.782  0.073  1.0
  Co  Co7  1  0.291  0.218  0.009  1.0
  O  O8  1  0.782  0.778  0.475  1.0
  O  O9  1  0.697  0.222  0.004  1.0
  O  O10  1  0.282  0.807  0.004  1.0
  O  O11  1  0.197  0.193  0.475  1.0
  O  O12  1  0.803  0.745  0.817  1.0
  O  O13  1  0.072  0.255  0.058  1.0
  O  O14  1  0.303  0.486  0.058  1.0
  O  O15  1  0.572  0.514  0.817  1.0
  O  O16  1  0.162  0.865  0.527  1.0
  O  O17  1  0.662  0.135  0.297  1.0
[/CIF]
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The compound described by Mg2Co2O5 is Aluminum carbonitride-like structured and crystallizes in the orthorhombic Ima2 space group. Mg(1) is bonded in a 5-coordinate geometry to one O(3), two equivalent O(1), and two equivalent O(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with four equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. In the second Co site, Co(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form CoO4 tetrahedra that share corners with two equivalent Co(1)O6 octahedra and corners with two equivalent Co(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to two equivalent Mg(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to two equivalent Mg(1), one Co(1), and one Co(2) atom to form distorted corner-sharing OMg2Co2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Mg(1) and two equivalent Co(2) atoms to form corner-sharing OMg2Co2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Co2O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.730
_cell_length_b   7.730
_cell_length_c   7.730
_cell_angle_alpha   140.649
_cell_angle_beta   140.612
_cell_angle_gamma   56.898
_symmetry_Int_Tables_number   1
_cell_volume   184.319
_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
  Mg  Mg0  1  0.411  0.886  0.523  1.0
  Mg  Mg1  1  0.638  0.114  0.525  1.0
  Mg  Mg2  1  0.911  0.388  0.525  1.0
  Mg  Mg3  1  0.138  0.612  0.523  1.0
  Co  Co4  1  0.980  0.000  0.980  1.0
  Co  Co5  1  0.480  0.500  0.980  1.0
  Co  Co6  1  0.791  0.782  0.073  1.0
  Co  Co7  1  0.291  0.218  0.009  1.0
  O  O8  1  0.782  0.778  0.475  1.0
  O  O9  1  0.697  0.222  0.004  1.0
  O  O10  1  0.282  0.807  0.004  1.0
  O  O11  1  0.197  0.193  0.475  1.0
  O  O12  1  0.803  0.745  0.817  1.0
  O  O13  1  0.072  0.255  0.058  1.0
  O  O14  1  0.303  0.486  0.058  1.0
  O  O15  1  0.572  0.514  0.817  1.0
  O  O16  1  0.162  0.865  0.527  1.0
  O  O17  1  0.662  0.135  0.297  1.0
[/CIF]
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