The material structure described by KMg(CO5)2 crystallizes in the triclinic P-1 space group. K(1) is bonded to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted KO8 hexagonal bipyramids that share edges with two equivalent Mg(1)O6 octahedra. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share edges with two equivalent K(1)O8 hexagonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), and one O(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), and one O(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one K(1) and one C(1) atom. is represented by the CIF card [CIF]
data_KMg(CO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.074
_cell_length_b   6.815
_cell_length_c   7.180
_cell_angle_alpha   74.171
_cell_angle_beta   78.769
_cell_angle_gamma   79.518
_symmetry_Int_Tables_number   1
_cell_volume   232.130
_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
  K  K0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  C  C2  1  0.621  0.781  0.708  1.0
  C  C3  1  0.379  0.219  0.292  1.0
  O  O4  1  0.410  0.306  0.795  1.0
  O  O5  1  0.590  0.694  0.205  1.0
  O  O6  1  0.703  0.670  0.583  1.0
  O  O7  1  0.297  0.330  0.417  1.0
  O  O8  1  0.804  0.561  0.198  1.0
  O  O9  1  0.196  0.439  0.802  1.0
  O  O10  1  0.763  0.909  0.727  1.0
  O  O11  1  0.237  0.091  0.273  1.0
  O  O12  1  0.608  0.231  0.180  1.0
  O  O13  1  0.392  0.769  0.820  1.0
[/CIF]
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The material structure described by KMg(CO5)2 crystallizes in the triclinic P-1 space group. K(1) is bonded to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form distorted KO8 hexagonal bipyramids that share edges with two equivalent Mg(1)O6 octahedra. Mg(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted MgO6 octahedra that share edges with two equivalent K(1)O8 hexagonal bipyramids. C(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), and one O(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mg(1) and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), and one O(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1) and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one K(1) and one C(1) atom. is represented by the CIF card [CIF]
data_KMg(CO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.074
_cell_length_b   6.815
_cell_length_c   7.180
_cell_angle_alpha   74.171
_cell_angle_beta   78.769
_cell_angle_gamma   79.518
_symmetry_Int_Tables_number   1
_cell_volume   232.130
_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
  K  K0  1  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.500  0.500  1.0
  C  C2  1  0.621  0.781  0.708  1.0
  C  C3  1  0.379  0.219  0.292  1.0
  O  O4  1  0.410  0.306  0.795  1.0
  O  O5  1  0.590  0.694  0.205  1.0
  O  O6  1  0.703  0.670  0.583  1.0
  O  O7  1  0.297  0.330  0.417  1.0
  O  O8  1  0.804  0.561  0.198  1.0
  O  O9  1  0.196  0.439  0.802  1.0
  O  O10  1  0.763  0.909  0.727  1.0
  O  O11  1  0.237  0.091  0.273  1.0
  O  O12  1  0.608  0.231  0.180  1.0
  O  O13  1  0.392  0.769  0.820  1.0
[/CIF]
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