The material described by MgBe2(CoO2)4 crystallizes in the cubic F-43m space group. Mg(1) is bonded to four equivalent Co(1) and four equivalent O(2) atoms to form distorted MgCo4O4 tetrahedra that share corners with four equivalent Be(1)O4 tetrahedra. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to four equivalent O(2) atoms to form BeO4 tetrahedra that share corners with four equivalent Mg(1)Co4O4 tetrahedra. In the second Be site, Be(2) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. Co(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Be(2) and three equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to one Mg(1), one Be(1), and three equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_MgBe2(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.955
_cell_length_b   5.955
_cell_length_c   5.955
_cell_angle_alpha   60.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   149.353
_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  0.750  0.500  0.750  1.0
  Be  Be1  1  0.000  0.000  0.000  1.0
  Be  Be2  1  0.250  0.500  0.250  1.0
  Co  Co3  1  0.601  0.203  0.196  1.0
  Co  Co4  1  0.601  0.203  0.601  1.0
  Co  Co5  1  0.601  0.797  0.601  1.0
  Co  Co6  1  0.196  0.797  0.601  1.0
  O  O7  1  0.890  0.260  0.370  1.0
  O  O8  1  0.879  0.242  0.879  1.0
  O  O9  1  0.879  0.758  0.363  1.0
  O  O10  1  0.370  0.260  0.370  1.0
  O  O11  1  0.370  0.740  0.370  1.0
  O  O12  1  0.363  0.242  0.879  1.0
  O  O13  1  0.879  0.758  0.879  1.0
  O  O14  1  0.370  0.740  0.890  1.0
[/CIF]
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The material described by MgBe2(CoO2)4 crystallizes in the cubic F-43m space group. Mg(1) is bonded to four equivalent Co(1) and four equivalent O(2) atoms to form distorted MgCo4O4 tetrahedra that share corners with four equivalent Be(1)O4 tetrahedra. There are two inequivalent Be sites. In the first Be site, Be(1) is bonded to four equivalent O(2) atoms to form BeO4 tetrahedra that share corners with four equivalent Mg(1)Co4O4 tetrahedra. In the second Be site, Be(2) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. Co(1) is bonded in a 7-coordinate geometry to one Mg(1), three equivalent O(1), and three equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Be(2) and three equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted linear geometry to one Mg(1), one Be(1), and three equivalent Co(1) atoms. is represented by the CIF file [CIF]
data_MgBe2(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.955
_cell_length_b   5.955
_cell_length_c   5.955
_cell_angle_alpha   60.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   149.353
_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  0.750  0.500  0.750  1.0
  Be  Be1  1  0.000  0.000  0.000  1.0
  Be  Be2  1  0.250  0.500  0.250  1.0
  Co  Co3  1  0.601  0.203  0.196  1.0
  Co  Co4  1  0.601  0.203  0.601  1.0
  Co  Co5  1  0.601  0.797  0.601  1.0
  Co  Co6  1  0.196  0.797  0.601  1.0
  O  O7  1  0.890  0.260  0.370  1.0
  O  O8  1  0.879  0.242  0.879  1.0
  O  O9  1  0.879  0.758  0.363  1.0
  O  O10  1  0.370  0.260  0.370  1.0
  O  O11  1  0.370  0.740  0.370  1.0
  O  O12  1  0.363  0.242  0.879  1.0
  O  O13  1  0.879  0.758  0.879  1.0
  O  O14  1  0.370  0.740  0.890  1.0
[/CIF]
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