The material described by Mg(CoO2)4 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form MgO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, and corners with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Co(4) atom. In the third O site, O(3) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OMgCo3 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), one Co(1), one Co(3), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OMgCo3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Co(2), one Co(3), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OMgCo3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OMgCo3 trigonal pyramids. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Co(1), one Co(3), and one Co(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.177
_cell_length_b   6.124
_cell_length_c   5.848
_cell_angle_alpha   121.705
_cell_angle_beta   121.711
_cell_angle_gamma   90.262
_symmetry_Int_Tables_number   1
_cell_volume   147.587
_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  0.375  0.131  0.248  1.0
  Co  Co1  1  0.501  0.510  0.014  1.0
  Co  Co2  1  0.991  0.994  0.482  1.0
  Co  Co3  1  0.014  0.510  0.014  1.0
  Co  Co4  1  0.993  0.493  0.485  1.0
  O  O5  1  0.761  0.725  0.021  1.0
  O  O6  1  0.207  0.740  0.482  1.0
  O  O7  1  0.238  0.268  0.976  1.0
  O  O8  1  0.235  0.716  0.967  1.0
  O  O9  1  0.785  0.259  0.519  1.0
  O  O10  1  0.237  0.260  0.520  1.0
  O  O11  1  0.771  0.287  0.041  1.0
  O  O12  1  0.773  0.738  0.480  1.0
[/CIF]
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The material described by Mg(CoO2)4 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form MgO4 tetrahedra that share corners with three equivalent Co(1)O6 octahedra, corners with three equivalent Co(2)O6 octahedra, corners with three equivalent Co(3)O6 octahedra, and corners with three equivalent Co(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(4)O6 octahedra. In the fourth Co site, Co(4) is bonded to one O(2), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form CoO6 octahedra that share corners with three equivalent Mg(1)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Co(4) atom. In the third O site, O(3) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OMgCo3 tetrahedra. In the fourth O site, O(4) is bonded to one Mg(1), one Co(1), one Co(3), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OMgCo3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Co(2), one Co(3), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OMgCo3 trigonal pyramids. In the sixth O site, O(6) is bonded to one Mg(1), one Co(1), one Co(2), and one Co(4) atom to form a mixture of distorted corner and edge-sharing OMgCo3 trigonal pyramids. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Co(1), one Co(3), and one Co(4) atom. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to one Co(1), one Co(2), and one Co(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg(CoO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.177
_cell_length_b   6.124
_cell_length_c   5.848
_cell_angle_alpha   121.705
_cell_angle_beta   121.711
_cell_angle_gamma   90.262
_symmetry_Int_Tables_number   1
_cell_volume   147.587
_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  0.375  0.131  0.248  1.0
  Co  Co1  1  0.501  0.510  0.014  1.0
  Co  Co2  1  0.991  0.994  0.482  1.0
  Co  Co3  1  0.014  0.510  0.014  1.0
  Co  Co4  1  0.993  0.493  0.485  1.0
  O  O5  1  0.761  0.725  0.021  1.0
  O  O6  1  0.207  0.740  0.482  1.0
  O  O7  1  0.238  0.268  0.976  1.0
  O  O8  1  0.235  0.716  0.967  1.0
  O  O9  1  0.785  0.259  0.519  1.0
  O  O10  1  0.237  0.260  0.520  1.0
  O  O11  1  0.771  0.287  0.041  1.0
  O  O12  1  0.773  0.738  0.480  1.0
[/CIF]
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