The compound described by MgBe2(CoO2)4 crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent O(1) atoms to form distorted MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra and edges with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. Be(1) is bonded in a 4-coordinate geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra and edges with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Be(1), one Co(1), and two equivalent Co(2) atoms to form a mixture of distorted edge and corner-sharing OMgBeCo3 square pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Be(1) and three equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_MgBe2(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.712
_cell_length_b   5.712
_cell_length_c   5.875
_cell_angle_alpha   60.911
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   137.373
_cell_formula_units_Z   1
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  0.125  0.250  0.625  1.0
  Be  Be1  1  0.974  0.947  0.079  1.0
  Be  Be2  1  0.276  0.553  0.171  1.0
  Co  Co3  1  0.625  0.250  0.125  1.0
  Co  Co4  1  0.625  0.250  0.625  1.0
  Co  Co5  1  0.625  0.750  0.625  1.0
  Co  Co6  1  0.125  0.750  0.625  1.0
  O  O7  1  0.898  0.271  0.356  1.0
  O  O8  1  0.877  0.229  0.894  1.0
  O  O9  1  0.867  0.734  0.399  1.0
  O  O10  1  0.373  0.271  0.356  1.0
  O  O11  1  0.373  0.746  0.356  1.0
  O  O12  1  0.352  0.229  0.894  1.0
  O  O13  1  0.877  0.754  0.894  1.0
  O  O14  1  0.383  0.766  0.851  1.0
[/CIF]
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The compound described by MgBe2(CoO2)4 crystallizes in the trigonal R-3m space group. Mg(1) is bonded to six equivalent O(1) atoms to form distorted MgO6 octahedra that share corners with six equivalent Co(1)O6 octahedra and edges with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. Be(1) is bonded in a 4-coordinate geometry to one O(2) and three equivalent O(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to six equivalent O(1) atoms to form CoO6 octahedra that share corners with six equivalent Mg(1)O6 octahedra and edges with six equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the second Co site, Co(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CoO6 octahedra that share edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, and edges with four equivalent Co(2)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Be(1), one Co(1), and two equivalent Co(2) atoms to form a mixture of distorted edge and corner-sharing OMgBeCo3 square pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Be(1) and three equivalent Co(2) atoms. is represented by the CIF file [CIF]
data_MgBe2(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.712
_cell_length_b   5.712
_cell_length_c   5.875
_cell_angle_alpha   60.911
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   137.373
_cell_formula_units_Z   1
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  0.125  0.250  0.625  1.0
  Be  Be1  1  0.974  0.947  0.079  1.0
  Be  Be2  1  0.276  0.553  0.171  1.0
  Co  Co3  1  0.625  0.250  0.125  1.0
  Co  Co4  1  0.625  0.250  0.625  1.0
  Co  Co5  1  0.625  0.750  0.625  1.0
  Co  Co6  1  0.125  0.750  0.625  1.0
  O  O7  1  0.898  0.271  0.356  1.0
  O  O8  1  0.877  0.229  0.894  1.0
  O  O9  1  0.867  0.734  0.399  1.0
  O  O10  1  0.373  0.271  0.356  1.0
  O  O11  1  0.373  0.746  0.356  1.0
  O  O12  1  0.352  0.229  0.894  1.0
  O  O13  1  0.877  0.754  0.894  1.0
  O  O14  1  0.383  0.766  0.851  1.0
[/CIF]
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