The material described by MgZn2(CoO3)2 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. 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), one O(4), and one O(6) atom to form distorted CoO5 trigonal bipyramids that share corners with three equivalent Zn(1)O6 octahedra, corners with three equivalent Co(2)O4 trigonal pyramids, and  an edgeedge with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the second Co site, Co(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form distorted CoO4 trigonal pyramids that share corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Co(1)O5 trigonal bipyramids, and  an edgeedge with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 68-76°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted ZnO6 octahedra that share corners with three equivalent Co(1)O5 trigonal bipyramids, corners with two equivalent Co(2)O4 trigonal pyramids,  an edgeedge with one Co(1)O5 trigonal bipyramid, and  an edgeedge with one Co(2)O4 trigonal pyramid. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), 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 Zn(1), and one Zn(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(2), and one Zn(1) atom. In the third O site, O(3) is bonded to one Mg(1), one Co(1), one Zn(1), and one Zn(2) atom to form distorted corner-sharing OMgZn2Co trigonal pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Co(2), one Zn(1), and one Zn(2) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Co(2), one Zn(1), and one Zn(2) atom to form corner-sharing OMgZn2Co tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Co(2), one Zn(1), and one Zn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn2(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.329
_cell_length_b   5.738
_cell_length_c   5.184
_cell_angle_alpha   113.139
_cell_angle_beta   59.005
_cell_angle_gamma   115.078
_symmetry_Int_Tables_number   1
_cell_volume   119.906
_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  0.717  0.110  0.691  1.0
  Zn  Zn1  1  0.352  0.014  0.329  1.0
  Zn  Zn2  1  0.510  0.551  0.496  1.0
  Co  Co3  1  0.113  0.440  0.145  1.0
  Co  Co4  1  0.997  0.870  0.923  1.0
  O  O5  1  0.122  0.322  0.421  1.0
  O  O6  1  0.335  0.199  0.785  1.0
  O  O7  1  0.737  0.298  0.114  1.0
  O  O8  1  0.277  0.750  0.944  1.0
  O  O9  1  0.651  0.847  0.289  1.0
  O  O10  1  0.915  0.786  0.588  1.0
[/CIF]
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The material described by MgZn2(CoO3)2 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom. 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), one O(4), and one O(6) atom to form distorted CoO5 trigonal bipyramids that share corners with three equivalent Zn(1)O6 octahedra, corners with three equivalent Co(2)O4 trigonal pyramids, and  an edgeedge with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-51°. In the second Co site, Co(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form distorted CoO4 trigonal pyramids that share corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Co(1)O5 trigonal bipyramids, and  an edgeedge with one Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 68-76°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted ZnO6 octahedra that share corners with three equivalent Co(1)O5 trigonal bipyramids, corners with two equivalent Co(2)O4 trigonal pyramids,  an edgeedge with one Co(1)O5 trigonal bipyramid, and  an edgeedge with one Co(2)O4 trigonal pyramid. In the second Zn site, Zn(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), 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 Zn(1), and one Zn(2) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(2), and one Zn(1) atom. In the third O site, O(3) is bonded to one Mg(1), one Co(1), one Zn(1), and one Zn(2) atom to form distorted corner-sharing OMgZn2Co trigonal pyramids. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Co(2), one Zn(1), and one Zn(2) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Co(2), one Zn(1), and one Zn(2) atom to form corner-sharing OMgZn2Co tetrahedra. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Mg(1), one Co(1), one Co(2), one Zn(1), and one Zn(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgZn2(CoO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.329
_cell_length_b   5.738
_cell_length_c   5.184
_cell_angle_alpha   113.139
_cell_angle_beta   59.005
_cell_angle_gamma   115.078
_symmetry_Int_Tables_number   1
_cell_volume   119.906
_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  0.717  0.110  0.691  1.0
  Zn  Zn1  1  0.352  0.014  0.329  1.0
  Zn  Zn2  1  0.510  0.551  0.496  1.0
  Co  Co3  1  0.113  0.440  0.145  1.0
  Co  Co4  1  0.997  0.870  0.923  1.0
  O  O5  1  0.122  0.322  0.421  1.0
  O  O6  1  0.335  0.199  0.785  1.0
  O  O7  1  0.737  0.298  0.114  1.0
  O  O8  1  0.277  0.750  0.944  1.0
  O  O9  1  0.651  0.847  0.289  1.0
  O  O10  1  0.915  0.786  0.588  1.0
[/CIF]
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