The material structure described by MgCo2(CO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(12), one O(3), one O(5), and one O(8) atom to form MgO5 trigonal bipyramids that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-64°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form distorted CoO6 octahedra that share corners with two equivalent Mg(1)O5 trigonal bipyramids and  an edgeedge with one Mg(1)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Mg(1)O5 trigonal bipyramid. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(7), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(6) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Co(2), and one C(3) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Co(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one C(3) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Co(2) and one C(3) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Co(2) and one C(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one C(2) atom. In the ninth O site, O(9) is bonded in an L-shaped geometry to one Co(1) and one C(4) atom. In the tenth O site, O(10) is bonded in an L-shaped geometry to one Co(2) and one C(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Co(2) and one C(4) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one C(4) atom. is represented by the CIF card [CIF]
data_MgCo2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.596
_cell_length_b   7.790
_cell_length_c   5.285
_cell_angle_alpha   91.515
_cell_angle_beta   117.852
_cell_angle_gamma   88.974
_symmetry_Int_Tables_number   1
_cell_volume   239.968
_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  0.304  0.953  0.601  1.0
  Co  Co1  1  0.975  0.006  0.957  1.0
  Co  Co2  1  0.512  0.510  0.003  1.0
  C  C3  1  0.125  0.260  0.871  1.0
  C  C4  1  0.604  0.242  0.888  1.0
  C  C5  1  0.396  0.774  0.144  1.0
  C  C6  1  0.892  0.745  0.106  1.0
  O  O7  1  0.097  0.113  0.718  1.0
  O  O8  1  0.181  0.400  0.815  1.0
  O  O9  1  0.388  0.762  0.890  1.0
  O  O10  1  0.074  0.235  0.079  1.0
  O  O11  1  0.345  0.912  0.238  1.0
  O  O12  1  0.459  0.635  0.287  1.0
  O  O13  1  0.559  0.374  0.726  1.0
  O  O14  1  0.618  0.087  0.802  1.0
  O  O15  1  0.884  0.773  0.858  1.0
  O  O16  1  0.617  0.278  0.136  1.0
  O  O17  1  0.837  0.610  0.178  1.0
  O  O18  1  0.966  0.885  0.277  1.0
[/CIF]
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The material structure described by MgCo2(CO3)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(12), one O(3), one O(5), and one O(8) atom to form MgO5 trigonal bipyramids that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and  an edgeedge with one Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-64°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(12), one O(4), one O(5), one O(8), and one O(9) atom to form distorted CoO6 octahedra that share corners with two equivalent Mg(1)O5 trigonal bipyramids and  an edgeedge with one Mg(1)O5 trigonal bipyramid. In the second Co site, Co(2) is bonded to one O(10), one O(11), one O(2), one O(3), one O(6), and one O(7) atom to form CoO6 octahedra that share  a cornercorner with one Mg(1)O5 trigonal bipyramid. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(7), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(3), one O(5), and one O(6) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Co(2), and one C(3) atom. In the fourth O site, O(4) is bonded in an L-shaped geometry to one Co(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one C(3) atom. In the sixth O site, O(6) is bonded in an L-shaped geometry to one Co(2) and one C(3) atom. In the seventh O site, O(7) is bonded in an L-shaped geometry to one Co(2) and one C(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one C(2) atom. In the ninth O site, O(9) is bonded in an L-shaped geometry to one Co(1) and one C(4) atom. In the tenth O site, O(10) is bonded in an L-shaped geometry to one Co(2) and one C(2) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Co(2) and one C(4) atom. In the twelfth O site, O(12) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one C(4) atom. is represented by the CIF card [CIF]
data_MgCo2(CO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.596
_cell_length_b   7.790
_cell_length_c   5.285
_cell_angle_alpha   91.515
_cell_angle_beta   117.852
_cell_angle_gamma   88.974
_symmetry_Int_Tables_number   1
_cell_volume   239.968
_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  0.304  0.953  0.601  1.0
  Co  Co1  1  0.975  0.006  0.957  1.0
  Co  Co2  1  0.512  0.510  0.003  1.0
  C  C3  1  0.125  0.260  0.871  1.0
  C  C4  1  0.604  0.242  0.888  1.0
  C  C5  1  0.396  0.774  0.144  1.0
  C  C6  1  0.892  0.745  0.106  1.0
  O  O7  1  0.097  0.113  0.718  1.0
  O  O8  1  0.181  0.400  0.815  1.0
  O  O9  1  0.388  0.762  0.890  1.0
  O  O10  1  0.074  0.235  0.079  1.0
  O  O11  1  0.345  0.912  0.238  1.0
  O  O12  1  0.459  0.635  0.287  1.0
  O  O13  1  0.559  0.374  0.726  1.0
  O  O14  1  0.618  0.087  0.802  1.0
  O  O15  1  0.884  0.773  0.858  1.0
  O  O16  1  0.617  0.278  0.136  1.0
  O  O17  1  0.837  0.610  0.178  1.0
  O  O18  1  0.966  0.885  0.277  1.0
[/CIF]
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