The material described by K2MgNd2(SO4)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 3-coordinate geometry to one O(11), one O(13), and one O(6) atom. In the second K site, K(2) is bonded in a 9-coordinate geometry to one Mg(1), one O(13), one O(16), one O(4), one O(5), one O(6), one O(9), and two equivalent O(14) atoms. Mg(1) is bonded in a 3-coordinate geometry to one K(2), one O(10), one O(7), and one O(8) atom. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(16), one O(2), one O(4), and one O(7) atom. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(15), one O(3), one O(6), one O(8), and one O(9) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(12), one O(13), one O(6), and one O(8) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(14), one O(16), one O(3), and one O(4) atom. In the third S site, S(3) is bonded in a tetrahedral geometry to one O(1), one O(10), one O(11), and one O(7) atom. In the fourth S site, S(4) is bonded in a tetrahedral geometry to one O(15), one O(2), one O(5), and one O(9) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Nd(2) and one S(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nd(1) and one S(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nd(2) and one S(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(2), one Nd(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one K(2) and one S(4) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one K(1), one K(2), one Nd(2), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Nd(1), and one S(3) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Mg(1), one Nd(2), and one S(1) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one K(2), one Nd(2), and one S(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one Nd(1), and one S(3) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one K(1), one Nd(1), and one S(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one S(1) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one K(1), one K(2), one Nd(2), and one S(1) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to two equivalent K(2) and one S(2) atom. In the fifteenth O site, O(15) is bonded in a distorted linear geometry to one Nd(2) and one S(4) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one K(2), one Nd(1), and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Nd2Mg(SO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   8.470
_cell_length_c   9.850
_cell_angle_alpha   104.630
_cell_angle_beta   91.824
_cell_angle_gamma   90.058
_symmetry_Int_Tables_number   1
_cell_volume   441.182
_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  0.761  0.135  0.077  1.0
  K  K1  1  0.246  0.974  0.662  1.0
  Nd  Nd2  1  0.229  0.586  0.291  1.0
  Nd  Nd3  1  0.769  0.394  0.730  1.0
  Mg  Mg4  1  0.252  0.795  0.967  1.0
  S  S5  1  0.247  0.346  0.911  1.0
  S  S6  1  0.749  0.742  0.560  1.0
  S  S7  1  0.753  0.628  0.115  1.0
  S  S8  1  0.252  0.240  0.462  1.0
  O  O9  1  0.721  0.569  0.961  1.0
  O  O10  1  0.213  0.342  0.359  1.0
  O  O11  1  0.777  0.633  0.657  1.0
  O  O12  1  0.964  0.715  0.467  1.0
  O  O13  1  0.266  0.067  0.392  1.0
  O  O14  1  0.467  0.256  0.846  1.0
  O  O15  1  0.977  0.736  0.149  1.0
  O  O16  1  0.209  0.496  0.858  1.0
  O  O17  1  0.044  0.270  0.561  1.0
  O  O18  1  0.528  0.719  0.170  1.0
  O  O19  1  0.794  0.492  0.185  1.0
  O  O20  1  0.281  0.387  0.066  1.0
  O  O21  1  0.024  0.241  0.867  1.0
  O  O22  1  0.740  0.913  0.638  1.0
  O  O23  1  0.482  0.299  0.547  1.0
  O  O24  1  0.518  0.693  0.474  1.0
[/CIF]
.
The material described by K2MgNd2(SO4)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 3-coordinate geometry to one O(11), one O(13), and one O(6) atom. In the second K site, K(2) is bonded in a 9-coordinate geometry to one Mg(1), one O(13), one O(16), one O(4), one O(5), one O(6), one O(9), and two equivalent O(14) atoms. Mg(1) is bonded in a 3-coordinate geometry to one K(2), one O(10), one O(7), and one O(8) atom. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(16), one O(2), one O(4), and one O(7) atom. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one O(1), one O(13), one O(15), one O(3), one O(6), one O(8), and one O(9) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a tetrahedral geometry to one O(12), one O(13), one O(6), and one O(8) atom. In the second S site, S(2) is bonded in a tetrahedral geometry to one O(14), one O(16), one O(3), and one O(4) atom. In the third S site, S(3) is bonded in a tetrahedral geometry to one O(1), one O(10), one O(11), and one O(7) atom. In the fourth S site, S(4) is bonded in a tetrahedral geometry to one O(15), one O(2), one O(5), and one O(9) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Nd(2) and one S(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Nd(1) and one S(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Nd(2) and one S(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one K(2), one Nd(1), and one S(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one K(2) and one S(4) atom. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one K(1), one K(2), one Nd(2), and one S(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Mg(1), one Nd(1), and one S(3) atom. In the eighth O site, O(8) is bonded in a 1-coordinate geometry to one Mg(1), one Nd(2), and one S(1) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one K(2), one Nd(2), and one S(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mg(1), one Nd(1), and one S(3) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one K(1), one Nd(1), and one S(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one S(1) atom. In the thirteenth O site, O(13) is bonded in a distorted single-bond geometry to one K(1), one K(2), one Nd(2), and one S(1) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to two equivalent K(2) and one S(2) atom. In the fifteenth O site, O(15) is bonded in a distorted linear geometry to one Nd(2) and one S(4) atom. In the sixteenth O site, O(16) is bonded in a 2-coordinate geometry to one K(2), one Nd(1), and one S(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K2Nd2Mg(SO4)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.468
_cell_length_b   8.470
_cell_length_c   9.850
_cell_angle_alpha   104.630
_cell_angle_beta   91.824
_cell_angle_gamma   90.058
_symmetry_Int_Tables_number   1
_cell_volume   441.182
_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  0.761  0.135  0.077  1.0
  K  K1  1  0.246  0.974  0.662  1.0
  Nd  Nd2  1  0.229  0.586  0.291  1.0
  Nd  Nd3  1  0.769  0.394  0.730  1.0
  Mg  Mg4  1  0.252  0.795  0.967  1.0
  S  S5  1  0.247  0.346  0.911  1.0
  S  S6  1  0.749  0.742  0.560  1.0
  S  S7  1  0.753  0.628  0.115  1.0
  S  S8  1  0.252  0.240  0.462  1.0
  O  O9  1  0.721  0.569  0.961  1.0
  O  O10  1  0.213  0.342  0.359  1.0
  O  O11  1  0.777  0.633  0.657  1.0
  O  O12  1  0.964  0.715  0.467  1.0
  O  O13  1  0.266  0.067  0.392  1.0
  O  O14  1  0.467  0.256  0.846  1.0
  O  O15  1  0.977  0.736  0.149  1.0
  O  O16  1  0.209  0.496  0.858  1.0
  O  O17  1  0.044  0.270  0.561  1.0
  O  O18  1  0.528  0.719  0.170  1.0
  O  O19  1  0.794  0.492  0.185  1.0
  O  O20  1  0.281  0.387  0.066  1.0
  O  O21  1  0.024  0.241  0.867  1.0
  O  O22  1  0.740  0.913  0.638  1.0
  O  O23  1  0.482  0.299  0.547  1.0
  O  O24  1  0.518  0.693  0.474  1.0
[/CIF]
.