The material described by K2MgGd2(MoO4)4 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(12), one O(14), one O(16), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second K site, K(2) is bonded in a 10-coordinate geometry to one Mg(1), one O(1), one O(11), one O(13), one O(15), one O(2), one O(3), one O(4), one O(6), and one O(9) atom. Mg(1) is bonded in a 5-coordinate geometry to one K(2), one O(1), one O(13), one O(14), one O(16), and one O(3) atom. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one O(11), one O(13), one O(15), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(5), one O(6), one O(7), and one O(8) atom. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(13), one O(4), one O(7), and one O(9) atom to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 39-48°. In the second Mo site, Mo(2) is bonded to one O(10), one O(14), one O(2), one O(3), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-49°. In the third Mo site, Mo(3) is bonded to one O(11), one O(12), one O(15), one O(2), one O(3), and one O(5) atom to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-49°. In the fourth Mo site, Mo(4) is bonded to one O(1), one O(11), one O(12), one O(16), one O(4), and one O(6) atom to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 39-48°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mg(1), one Mo(1), and one Mo(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Mo(2), and one Mo(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mg(1), one Mo(2), and one Mo(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Mo(1), and one Mo(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one K(1), one Gd(1), one Gd(2), and one Mo(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(2), one Gd(1), one Gd(2), and one Mo(4) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one K(1), one Gd(1), one Gd(2), and one Mo(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1), one Gd(2), and one Mo(2) atom. In the ninth O site, O(9) is bonded to one K(2), one Gd(1), one Mo(1), and one Mo(2) atom to form a mixture of distorted corner and edge-sharing OKGdMo2 trigonal pyramids. In the tenth O site, O(10) is bonded to one K(1), one Gd(2), one Mo(1), and one Mo(2) atom to form a mixture of distorted corner and edge-sharing OKGdMo2 tetrahedra. In the eleventh O site, O(11) is bonded to one K(2), one Gd(1), one Mo(3), and one Mo(4) atom to form a mixture of distorted corner and edge-sharing OKGdMo2 trigonal pyramids. In the twelfth O site, O(12) is bonded to one K(1), one Gd(2), one Mo(3), and one Mo(4) atom to form a mixture of distorted corner and edge-sharing OKGdMo2 tetrahedra. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one K(2), one Mg(1), one Gd(1), and one Mo(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one K(1), one Mg(1), one Gd(2), and one Mo(2) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one K(2), one Gd(1), and one Mo(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one K(1), one Mg(1), one Gd(2), and one Mo(4) atom. is represented by the CIF card [CIF]
data_K2Gd2Mg(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.802
_cell_length_b   7.676
_cell_length_c   7.930
_cell_angle_alpha   117.714
_cell_angle_beta   122.995
_cell_angle_gamma   88.071
_symmetry_Int_Tables_number   1
_cell_volume   336.841
_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  0.475  0.225  0.253  1.0
  K  K1  1  0.474  0.742  0.742  1.0
  Gd  Gd2  1  0.010  0.772  0.242  1.0
  Gd  Gd3  1  0.013  0.251  0.752  1.0
  Mg  Mg4  1  0.771  0.998  0.795  1.0
  Mo  Mo5  1  0.997  0.304  0.284  1.0
  Mo  Mo6  1  0.998  0.697  0.711  1.0
  Mo  Mo7  1  0.510  0.722  0.216  1.0
  Mo  Mo8  1  0.486  0.288  0.780  1.0
  O  O9  1  0.665  0.193  0.997  1.0
  O  O10  1  0.330  0.767  0.971  1.0
  O  O11  1  0.690  0.690  0.516  1.0
  O  O12  1  0.311  0.356  0.544  1.0
  O  O13  1  0.750  0.931  0.371  1.0
  O  O14  1  0.240  0.080  0.625  1.0
  O  O15  1  0.053  0.373  0.120  1.0
  O  O16  1  0.960  0.606  0.874  1.0
  O  O17  1  0.048  0.642  0.478  1.0
  O  O18  1  0.923  0.356  0.496  1.0
  O  O19  1  0.657  0.572  0.016  1.0
  O  O20  1  0.373  0.424  0.004  1.0
  O  O21  1  0.939  0.007  0.124  1.0
  O  O22  1  0.049  0.989  0.832  1.0
  O  O23  1  0.357  0.796  0.332  1.0
  O  O24  1  0.651  0.196  0.671  1.0
[/CIF]
.
The material described by K2MgGd2(MoO4)4 crystallizes in the triclinic P1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 10-coordinate geometry to one O(1), one O(10), one O(12), one O(14), one O(16), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. In the second K site, K(2) is bonded in a 10-coordinate geometry to one Mg(1), one O(1), one O(11), one O(13), one O(15), one O(2), one O(3), one O(4), one O(6), and one O(9) atom. Mg(1) is bonded in a 5-coordinate geometry to one K(2), one O(1), one O(13), one O(14), one O(16), and one O(3) atom. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one O(11), one O(13), one O(15), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one O(10), one O(12), one O(14), one O(16), one O(5), one O(6), one O(7), and one O(8) atom. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(13), one O(4), one O(7), and one O(9) atom to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 39-48°. In the second Mo site, Mo(2) is bonded to one O(10), one O(14), one O(2), one O(3), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-49°. In the third Mo site, Mo(3) is bonded to one O(11), one O(12), one O(15), one O(2), one O(3), and one O(5) atom to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 41-49°. In the fourth Mo site, Mo(4) is bonded to one O(1), one O(11), one O(12), one O(16), one O(4), and one O(6) atom to form a mixture of distorted corner and edge-sharing MoO6 octahedra. The corner-sharing octahedral tilt angles range from 39-48°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mg(1), one Mo(1), and one Mo(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Mo(2), and one Mo(3) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one K(1), one K(2), one Mg(1), one Mo(2), and one Mo(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Mo(1), and one Mo(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one K(1), one Gd(1), one Gd(2), and one Mo(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one K(2), one Gd(1), one Gd(2), and one Mo(4) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one K(1), one Gd(1), one Gd(2), and one Mo(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal non-coplanar geometry to one Gd(1), one Gd(2), and one Mo(2) atom. In the ninth O site, O(9) is bonded to one K(2), one Gd(1), one Mo(1), and one Mo(2) atom to form a mixture of distorted corner and edge-sharing OKGdMo2 trigonal pyramids. In the tenth O site, O(10) is bonded to one K(1), one Gd(2), one Mo(1), and one Mo(2) atom to form a mixture of distorted corner and edge-sharing OKGdMo2 tetrahedra. In the eleventh O site, O(11) is bonded to one K(2), one Gd(1), one Mo(3), and one Mo(4) atom to form a mixture of distorted corner and edge-sharing OKGdMo2 trigonal pyramids. In the twelfth O site, O(12) is bonded to one K(1), one Gd(2), one Mo(3), and one Mo(4) atom to form a mixture of distorted corner and edge-sharing OKGdMo2 tetrahedra. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one K(2), one Mg(1), one Gd(1), and one Mo(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one K(1), one Mg(1), one Gd(2), and one Mo(2) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one K(2), one Gd(1), and one Mo(3) atom. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to one K(1), one Mg(1), one Gd(2), and one Mo(4) atom. is represented by the CIF card [CIF]
data_K2Gd2Mg(MoO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.802
_cell_length_b   7.676
_cell_length_c   7.930
_cell_angle_alpha   117.714
_cell_angle_beta   122.995
_cell_angle_gamma   88.071
_symmetry_Int_Tables_number   1
_cell_volume   336.841
_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  0.475  0.225  0.253  1.0
  K  K1  1  0.474  0.742  0.742  1.0
  Gd  Gd2  1  0.010  0.772  0.242  1.0
  Gd  Gd3  1  0.013  0.251  0.752  1.0
  Mg  Mg4  1  0.771  0.998  0.795  1.0
  Mo  Mo5  1  0.997  0.304  0.284  1.0
  Mo  Mo6  1  0.998  0.697  0.711  1.0
  Mo  Mo7  1  0.510  0.722  0.216  1.0
  Mo  Mo8  1  0.486  0.288  0.780  1.0
  O  O9  1  0.665  0.193  0.997  1.0
  O  O10  1  0.330  0.767  0.971  1.0
  O  O11  1  0.690  0.690  0.516  1.0
  O  O12  1  0.311  0.356  0.544  1.0
  O  O13  1  0.750  0.931  0.371  1.0
  O  O14  1  0.240  0.080  0.625  1.0
  O  O15  1  0.053  0.373  0.120  1.0
  O  O16  1  0.960  0.606  0.874  1.0
  O  O17  1  0.048  0.642  0.478  1.0
  O  O18  1  0.923  0.356  0.496  1.0
  O  O19  1  0.657  0.572  0.016  1.0
  O  O20  1  0.373  0.424  0.004  1.0
  O  O21  1  0.939  0.007  0.124  1.0
  O  O22  1  0.049  0.989  0.832  1.0
  O  O23  1  0.357  0.796  0.332  1.0
  O  O24  1  0.651  0.196  0.671  1.0
[/CIF]
.