The material structure described by KMgCo2(MoO5)2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 8-coordinate geometry to one O(10), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. Mg(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form MgO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form MoO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the second Mo site, Mo(2) is bonded to one O(10), one O(4), one O(5), and one O(8) atom to form MoO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(2), one O(6), one O(8), and one O(9) atom to form distorted CoO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one K(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one K(1) and one Mo(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), one Mo(2), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one K(1), one Mg(1), one Mo(1), and one Co(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(1), one Mg(1), one Mo(1), and one Co(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one K(1), one Mg(1), one Mo(2), and one Co(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one K(1), one Mo(1), one Co(1), and one Co(2) atom. In the tenth O site, O(10) is bonded in a distorted tetrahedral geometry to one K(1), one Mo(2), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMgCo2(MoO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.204
_cell_length_b   6.114
_cell_length_c   8.405
_cell_angle_alpha   67.569
_cell_angle_beta   68.261
_cell_angle_gamma   58.481
_symmetry_Int_Tables_number   1
_cell_volume   245.241
_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  0.485  0.543  0.499  1.0
  Mg  Mg1  1  0.484  0.512  0.010  1.0
  Co  Co2  1  0.990  0.507  0.999  1.0
  Co  Co3  1  0.515  0.019  0.987  1.0
  Mo  Mo4  1  0.076  0.103  0.744  1.0
  Mo  Mo5  1  0.902  0.914  0.258  1.0
  O  O6  1  0.675  0.733  0.901  1.0
  O  O7  1  0.299  0.281  0.097  1.0
  O  O8  1  0.150  0.152  0.516  1.0
  O  O9  1  0.807  0.844  0.488  1.0
  O  O10  1  0.775  0.270  0.166  1.0
  O  O11  1  0.723  0.246  0.825  1.0
  O  O12  1  0.208  0.750  0.842  1.0
  O  O13  1  0.251  0.758  0.192  1.0
  O  O14  1  0.214  0.250  0.807  1.0
  O  O15  1  0.770  0.783  0.174  1.0
[/CIF]
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The material structure described by KMgCo2(MoO5)2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 8-coordinate geometry to one O(10), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. Mg(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form MgO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(3), one O(6), one O(7), and one O(9) atom to form MoO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. In the second Mo site, Mo(2) is bonded to one O(10), one O(4), one O(5), and one O(8) atom to form MoO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(10), one O(2), one O(5), one O(7), and one O(9) atom to form CoO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Co(2)O6 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(10), one O(2), one O(6), one O(8), and one O(9) atom to form distorted CoO6 octahedra that share corners with two equivalent Mo(1)O4 tetrahedra, corners with two equivalent Mo(2)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, and edges with two equivalent Co(1)O6 octahedra. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Co(1), and one Co(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Co(1), and one Co(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to one K(1) and one Mo(1) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one K(1) and one Mo(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), one Mo(2), and one Co(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one K(1), one Mg(1), one Mo(1), and one Co(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(1), one Mg(1), one Mo(1), and one Co(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one K(1), one Mg(1), one Mo(2), and one Co(2) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one K(1), one Mo(1), one Co(1), and one Co(2) atom. In the tenth O site, O(10) is bonded in a distorted tetrahedral geometry to one K(1), one Mo(2), one Co(1), and one Co(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KMgCo2(MoO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.204
_cell_length_b   6.114
_cell_length_c   8.405
_cell_angle_alpha   67.569
_cell_angle_beta   68.261
_cell_angle_gamma   58.481
_symmetry_Int_Tables_number   1
_cell_volume   245.241
_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  0.485  0.543  0.499  1.0
  Mg  Mg1  1  0.484  0.512  0.010  1.0
  Co  Co2  1  0.990  0.507  0.999  1.0
  Co  Co3  1  0.515  0.019  0.987  1.0
  Mo  Mo4  1  0.076  0.103  0.744  1.0
  Mo  Mo5  1  0.902  0.914  0.258  1.0
  O  O6  1  0.675  0.733  0.901  1.0
  O  O7  1  0.299  0.281  0.097  1.0
  O  O8  1  0.150  0.152  0.516  1.0
  O  O9  1  0.807  0.844  0.488  1.0
  O  O10  1  0.775  0.270  0.166  1.0
  O  O11  1  0.723  0.246  0.825  1.0
  O  O12  1  0.208  0.750  0.842  1.0
  O  O13  1  0.251  0.758  0.192  1.0
  O  O14  1  0.214  0.250  0.807  1.0
  O  O15  1  0.770  0.783  0.174  1.0
[/CIF]
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