The material described by KNd(CO3)2 crystallizes in the orthorhombic Pmn2_1 space group. K(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(8), and two equivalent O(7) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(8), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Nd(2), and one C(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1), one Nd(1), and one C(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Nd(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Nd(1), one Nd(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(1), one Nd(1), one Nd(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Nd(1), one Nd(2), and one C(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent K(1), one Nd(2), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent K(1), one Nd(1), and one C(2) atom. is represented by the CIF file [CIF]
data_KNd(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.491
_cell_length_b   8.495
_cell_length_c   9.755
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   537.914
_cell_formula_units_Z   4
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  0.455  0.688  0.238  1.0
  K  K1  1  0.455  0.688  0.762  1.0
  K  K2  1  0.545  0.188  0.262  1.0
  K  K3  1  0.545  0.188  0.738  1.0
  Nd  Nd4  1  0.968  0.953  0.000  1.0
  Nd  Nd5  1  0.037  0.455  0.000  1.0
  Nd  Nd6  1  0.032  0.453  0.500  1.0
  Nd  Nd7  1  0.963  0.955  0.500  1.0
  C  C8  1  0.961  0.762  0.751  1.0
  C  C9  1  0.039  0.262  0.749  1.0
  C  C10  1  0.474  0.442  0.500  1.0
  C  C11  1  0.039  0.262  0.251  1.0
  C  C12  1  0.406  0.957  0.500  1.0
  C  C13  1  0.961  0.762  0.249  1.0
  C  C14  1  0.594  0.457  0.000  1.0
  C  C15  1  0.526  0.942  0.000  1.0
  O  O16  1  0.398  0.474  0.000  1.0
  O  O17  1  0.367  0.313  0.500  1.0
  O  O18  1  0.329  0.938  0.000  1.0
  O  O19  1  0.030  0.194  0.133  1.0
  O  O20  1  0.036  0.703  0.861  1.0
  O  O21  1  0.879  0.901  0.755  1.0
  O  O22  1  0.970  0.694  0.367  1.0
  O  O23  1  0.602  0.974  0.500  1.0
  O  O24  1  0.696  0.450  0.886  1.0
  O  O25  1  0.121  0.401  0.745  1.0
  O  O26  1  0.964  0.203  0.639  1.0
  O  O27  1  0.633  0.813  0.000  1.0
  O  O28  1  0.121  0.401  0.255  1.0
  O  O29  1  0.964  0.203  0.361  1.0
  O  O30  1  0.624  0.076  0.000  1.0
  O  O31  1  0.879  0.901  0.245  1.0
  O  O32  1  0.696  0.450  0.114  1.0
  O  O33  1  0.970  0.694  0.633  1.0
  O  O34  1  0.376  0.576  0.500  1.0
  O  O35  1  0.304  0.950  0.386  1.0
  O  O36  1  0.036  0.703  0.139  1.0
  O  O37  1  0.030  0.194  0.867  1.0
  O  O38  1  0.304  0.950  0.614  1.0
  O  O39  1  0.671  0.438  0.500  1.0
[/CIF]
.
The material described by KNd(CO3)2 crystallizes in the orthorhombic Pmn2_1 space group. K(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(8), and two equivalent O(7) atoms. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one O(2), one O(3), one O(8), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. In the second Nd site, Nd(2) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(4), two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(4), one O(5), and one O(6) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(2), one O(3), and one O(8) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(7) atoms. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to two equivalent K(1), one Nd(2), and one C(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1), one Nd(1), and one C(2) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one Nd(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Nd(1), one Nd(2), and one C(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one K(1), one Nd(1), one Nd(2), and one C(1) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Nd(1), one Nd(2), and one C(1) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to two equivalent K(1), one Nd(2), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent K(1), one Nd(1), and one C(2) atom. is represented by the CIF file [CIF]
data_KNd(CO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.491
_cell_length_b   8.495
_cell_length_c   9.755
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   537.914
_cell_formula_units_Z   4
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  0.455  0.688  0.238  1.0
  K  K1  1  0.455  0.688  0.762  1.0
  K  K2  1  0.545  0.188  0.262  1.0
  K  K3  1  0.545  0.188  0.738  1.0
  Nd  Nd4  1  0.968  0.953  0.000  1.0
  Nd  Nd5  1  0.037  0.455  0.000  1.0
  Nd  Nd6  1  0.032  0.453  0.500  1.0
  Nd  Nd7  1  0.963  0.955  0.500  1.0
  C  C8  1  0.961  0.762  0.751  1.0
  C  C9  1  0.039  0.262  0.749  1.0
  C  C10  1  0.474  0.442  0.500  1.0
  C  C11  1  0.039  0.262  0.251  1.0
  C  C12  1  0.406  0.957  0.500  1.0
  C  C13  1  0.961  0.762  0.249  1.0
  C  C14  1  0.594  0.457  0.000  1.0
  C  C15  1  0.526  0.942  0.000  1.0
  O  O16  1  0.398  0.474  0.000  1.0
  O  O17  1  0.367  0.313  0.500  1.0
  O  O18  1  0.329  0.938  0.000  1.0
  O  O19  1  0.030  0.194  0.133  1.0
  O  O20  1  0.036  0.703  0.861  1.0
  O  O21  1  0.879  0.901  0.755  1.0
  O  O22  1  0.970  0.694  0.367  1.0
  O  O23  1  0.602  0.974  0.500  1.0
  O  O24  1  0.696  0.450  0.886  1.0
  O  O25  1  0.121  0.401  0.745  1.0
  O  O26  1  0.964  0.203  0.639  1.0
  O  O27  1  0.633  0.813  0.000  1.0
  O  O28  1  0.121  0.401  0.255  1.0
  O  O29  1  0.964  0.203  0.361  1.0
  O  O30  1  0.624  0.076  0.000  1.0
  O  O31  1  0.879  0.901  0.245  1.0
  O  O32  1  0.696  0.450  0.114  1.0
  O  O33  1  0.970  0.694  0.633  1.0
  O  O34  1  0.376  0.576  0.500  1.0
  O  O35  1  0.304  0.950  0.386  1.0
  O  O36  1  0.036  0.703  0.139  1.0
  O  O37  1  0.030  0.194  0.867  1.0
  O  O38  1  0.304  0.950  0.614  1.0
  O  O39  1  0.671  0.438  0.500  1.0
[/CIF]
.