The material described by MgCo2(BO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MgO4 tetrahedra that share corners with three equivalent Co(1)O4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form CoO4 tetrahedra that share corners with three equivalent Mg(1)O4 tetrahedra. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(6) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(2), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one B(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one Co(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one Co(2), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.837
_cell_length_b   5.153
_cell_length_c   5.073
_cell_angle_alpha   59.753
_cell_angle_beta   101.127
_cell_angle_gamma   76.141
_symmetry_Int_Tables_number   1
_cell_volume   139.045
_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  0.875  0.415  0.583  1.0
  Co  Co1  1  0.684  0.186  0.164  1.0
  Co  Co2  1  0.325  0.815  0.846  1.0
  B  B3  1  0.752  0.834  0.853  1.0
  B  B4  1  0.250  0.183  0.133  1.0
  O  O5  1  0.705  0.602  0.107  1.0
  O  O6  1  0.794  0.789  0.621  1.0
  O  O7  1  0.755  0.104  0.846  1.0
  O  O8  1  0.183  0.178  0.858  1.0
  O  O9  1  0.188  0.029  0.387  1.0
  O  O10  1  0.384  0.354  0.127  1.0
[/CIF]
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The material described by MgCo2(BO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form MgO4 tetrahedra that share corners with three equivalent Co(1)O4 tetrahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form CoO4 tetrahedra that share corners with three equivalent Mg(1)O4 tetrahedra. In the second Co site, Co(2) is bonded in a 4-coordinate geometry to one O(1), one O(4), one O(5), and one O(6) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(2), and one B(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one B(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one Co(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mg(1), one Co(2), and one B(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one B(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgCo2(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.837
_cell_length_b   5.153
_cell_length_c   5.073
_cell_angle_alpha   59.753
_cell_angle_beta   101.127
_cell_angle_gamma   76.141
_symmetry_Int_Tables_number   1
_cell_volume   139.045
_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  0.875  0.415  0.583  1.0
  Co  Co1  1  0.684  0.186  0.164  1.0
  Co  Co2  1  0.325  0.815  0.846  1.0
  B  B3  1  0.752  0.834  0.853  1.0
  B  B4  1  0.250  0.183  0.133  1.0
  O  O5  1  0.705  0.602  0.107  1.0
  O  O6  1  0.794  0.789  0.621  1.0
  O  O7  1  0.755  0.104  0.846  1.0
  O  O8  1  0.183  0.178  0.858  1.0
  O  O9  1  0.188  0.029  0.387  1.0
  O  O10  1  0.384  0.354  0.127  1.0
[/CIF]
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