The material described by KMgMn2(MoO5)2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 7-coordinate geometry to one O(10), 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 Mn(1)O6 octahedra, and edges with two equivalent Mn(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 Mn(1)O6 octahedra, and corners with two equivalent Mn(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 Mn(1)O6 octahedra, and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. There are two inequivalent Mn sites. In the first Mn site, Mn(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 MnO6 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 Mn(2)O6 octahedra. In the second Mn site, Mn(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 MnO6 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 Mn(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 Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to 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 Mn(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), one Mo(1), and one Mn(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 Mn(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), one Mo(2), and one Mn(2) atom. In the ninth O site, O(9) is bonded to one K(1), one Mo(1), one Mn(1), and one Mn(2) atom to form distorted corner-sharing OKMn2Mo tetrahedra. In the tenth O site, O(10) is bonded to one K(1), one Mo(2), one Mn(1), and one Mn(2) atom to form distorted corner-sharing OKMn2Mo tetrahedra. is represented by the CIF file [CIF]
data_KMgMn2(MoO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.157
_cell_length_b   6.168
_cell_length_c   8.611
_cell_angle_alpha   66.498
_cell_angle_beta   67.317
_cell_angle_gamma   60.546
_symmetry_Int_Tables_number   1
_cell_volume   253.659
_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  0.463  0.542  0.504  1.0
  Mg  Mg1  1  0.492  0.508  1.000  1.0
  Mn  Mn2  1  0.988  0.510  0.004  1.0
  Mn  Mn3  1  0.491  0.011  0.997  1.0
  Mo  Mo4  1  0.080  0.097  0.746  1.0
  Mo  Mo5  1  0.903  0.921  0.254  1.0
  O  O6  1  0.687  0.729  0.900  1.0
  O  O7  1  0.296  0.289  0.100  1.0
  O  O8  1  0.145  0.177  0.519  1.0
  O  O9  1  0.852  0.822  0.480  1.0
  O  O10  1  0.757  0.271  0.179  1.0
  O  O11  1  0.729  0.221  0.840  1.0
  O  O12  1  0.222  0.748  0.826  1.0
  O  O13  1  0.252  0.801  0.155  1.0
  O  O14  1  0.221  0.236  0.812  1.0
  O  O15  1  0.758  0.786  0.186  1.0
[/CIF]
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The material described by KMgMn2(MoO5)2 crystallizes in the triclinic P1 space group. K(1) is bonded in a 7-coordinate geometry to one O(10), 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 Mn(1)O6 octahedra, and edges with two equivalent Mn(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 Mn(1)O6 octahedra, and corners with two equivalent Mn(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 Mn(1)O6 octahedra, and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-57°. There are two inequivalent Mn sites. In the first Mn site, Mn(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 MnO6 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 Mn(2)O6 octahedra. In the second Mn site, Mn(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 MnO6 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 Mn(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 Mn(1), and one Mn(2) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Mn(1), and one Mn(2) atom. In the third O site, O(3) is bonded in a single-bond geometry to 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 Mn(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), one Mo(1), and one Mn(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 Mn(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one K(1), one Mg(1), one Mo(2), and one Mn(2) atom. In the ninth O site, O(9) is bonded to one K(1), one Mo(1), one Mn(1), and one Mn(2) atom to form distorted corner-sharing OKMn2Mo tetrahedra. In the tenth O site, O(10) is bonded to one K(1), one Mo(2), one Mn(1), and one Mn(2) atom to form distorted corner-sharing OKMn2Mo tetrahedra. is represented by the CIF file [CIF]
data_KMgMn2(MoO5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.157
_cell_length_b   6.168
_cell_length_c   8.611
_cell_angle_alpha   66.498
_cell_angle_beta   67.317
_cell_angle_gamma   60.546
_symmetry_Int_Tables_number   1
_cell_volume   253.659
_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  0.463  0.542  0.504  1.0
  Mg  Mg1  1  0.492  0.508  1.000  1.0
  Mn  Mn2  1  0.988  0.510  0.004  1.0
  Mn  Mn3  1  0.491  0.011  0.997  1.0
  Mo  Mo4  1  0.080  0.097  0.746  1.0
  Mo  Mo5  1  0.903  0.921  0.254  1.0
  O  O6  1  0.687  0.729  0.900  1.0
  O  O7  1  0.296  0.289  0.100  1.0
  O  O8  1  0.145  0.177  0.519  1.0
  O  O9  1  0.852  0.822  0.480  1.0
  O  O10  1  0.757  0.271  0.179  1.0
  O  O11  1  0.729  0.221  0.840  1.0
  O  O12  1  0.222  0.748  0.826  1.0
  O  O13  1  0.252  0.801  0.155  1.0
  O  O14  1  0.221  0.236  0.812  1.0
  O  O15  1  0.758  0.786  0.186  1.0
[/CIF]
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