The compound described by K3Nd(BO3)2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(2), and three equivalent O(1) atoms. Nd(1) is bonded to one O(2), one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing NdO7 pentagonal bipyramids. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to four equivalent K(2), one Nd(1), and one B(2) atom. In the second O site, O(3) is bonded to two equivalent K(2), two equivalent Nd(1), and one B(1) atom to form distorted corner-sharing OK2Nd2B trigonal bipyramids. In the third O site, O(4) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Nd(1), and one B(1) atom. In the fourth O site, O(5) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Nd(1), and one B(1) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), three equivalent K(2), one Nd(1), and one B(2) atom. is represented by the CIF file [CIF]
data_K3Nd(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.252
_cell_length_b   9.157
_cell_length_c   11.339
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   753.002
_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  0.250  0.939  0.130  1.0
  K  K1  1  0.750  0.061  0.870  1.0
  K  K2  1  0.750  0.561  0.630  1.0
  K  K3  1  0.250  0.439  0.370  1.0
  K  K4  1  0.504  0.700  0.902  1.0
  K  K5  1  0.496  0.300  0.098  1.0
  K  K6  1  0.496  0.800  0.402  1.0
  K  K7  1  0.004  0.300  0.098  1.0
  K  K8  1  0.504  0.200  0.598  1.0
  K  K9  1  0.996  0.700  0.902  1.0
  K  K10  1  0.996  0.200  0.598  1.0
  K  K11  1  0.004  0.800  0.402  1.0
  Nd  Nd12  1  0.250  0.874  0.669  1.0
  Nd  Nd13  1  0.750  0.126  0.331  1.0
  Nd  Nd14  1  0.750  0.626  0.169  1.0
  Nd  Nd15  1  0.250  0.374  0.831  1.0
  B  B16  1  0.250  0.562  0.626  1.0
  B  B17  1  0.750  0.438  0.374  1.0
  B  B18  1  0.750  0.938  0.126  1.0
  B  B19  1  0.250  0.062  0.874  1.0
  B  B20  1  0.250  0.589  0.117  1.0
  B  B21  1  0.750  0.411  0.883  1.0
  B  B22  1  0.750  0.911  0.617  1.0
  B  B23  1  0.250  0.089  0.383  1.0
  O  O24  1  0.083  0.628  0.170  1.0
  O  O25  1  0.917  0.372  0.830  1.0
  O  O26  1  0.917  0.872  0.670  1.0
  O  O27  1  0.583  0.372  0.830  1.0
  O  O28  1  0.083  0.128  0.330  1.0
  O  O29  1  0.417  0.628  0.170  1.0
  O  O30  1  0.417  0.128  0.330  1.0
  O  O31  1  0.583  0.872  0.670  1.0
  O  O32  1  0.250  0.509  0.012  1.0
  O  O33  1  0.750  0.491  0.988  1.0
  O  O34  1  0.750  0.991  0.512  1.0
  O  O35  1  0.250  0.009  0.488  1.0
  O  O36  1  0.250  0.621  0.741  1.0
  O  O37  1  0.750  0.379  0.259  1.0
  O  O38  1  0.750  0.879  0.241  1.0
  O  O39  1  0.250  0.121  0.759  1.0
  O  O40  1  0.250  0.660  0.533  1.0
  O  O41  1  0.750  0.340  0.467  1.0
  O  O42  1  0.750  0.840  0.033  1.0
  O  O43  1  0.250  0.160  0.967  1.0
  O  O44  1  0.250  0.912  0.885  1.0
  O  O45  1  0.750  0.088  0.115  1.0
  O  O46  1  0.750  0.588  0.385  1.0
  O  O47  1  0.250  0.412  0.615  1.0
[/CIF]
.
The compound described by K3Nd(BO3)2 crystallizes in the orthorhombic Pnma space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one O(4), one O(5), and four equivalent O(1) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), two equivalent O(2), and three equivalent O(1) atoms. Nd(1) is bonded to one O(2), one O(4), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form corner-sharing NdO7 pentagonal bipyramids. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3), one O(4), and one O(5) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(1) atoms. There are five inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to four equivalent K(2), one Nd(1), and one B(2) atom. In the second O site, O(3) is bonded to two equivalent K(2), two equivalent Nd(1), and one B(1) atom to form distorted corner-sharing OK2Nd2B trigonal bipyramids. In the third O site, O(4) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Nd(1), and one B(1) atom. In the fourth O site, O(5) is bonded in a distorted single-bond geometry to one K(1), two equivalent K(2), one Nd(1), and one B(1) atom. In the fifth O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1), three equivalent K(2), one Nd(1), and one B(2) atom. is represented by the CIF file [CIF]
data_K3Nd(BO3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.252
_cell_length_b   9.157
_cell_length_c   11.339
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   753.002
_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  0.250  0.939  0.130  1.0
  K  K1  1  0.750  0.061  0.870  1.0
  K  K2  1  0.750  0.561  0.630  1.0
  K  K3  1  0.250  0.439  0.370  1.0
  K  K4  1  0.504  0.700  0.902  1.0
  K  K5  1  0.496  0.300  0.098  1.0
  K  K6  1  0.496  0.800  0.402  1.0
  K  K7  1  0.004  0.300  0.098  1.0
  K  K8  1  0.504  0.200  0.598  1.0
  K  K9  1  0.996  0.700  0.902  1.0
  K  K10  1  0.996  0.200  0.598  1.0
  K  K11  1  0.004  0.800  0.402  1.0
  Nd  Nd12  1  0.250  0.874  0.669  1.0
  Nd  Nd13  1  0.750  0.126  0.331  1.0
  Nd  Nd14  1  0.750  0.626  0.169  1.0
  Nd  Nd15  1  0.250  0.374  0.831  1.0
  B  B16  1  0.250  0.562  0.626  1.0
  B  B17  1  0.750  0.438  0.374  1.0
  B  B18  1  0.750  0.938  0.126  1.0
  B  B19  1  0.250  0.062  0.874  1.0
  B  B20  1  0.250  0.589  0.117  1.0
  B  B21  1  0.750  0.411  0.883  1.0
  B  B22  1  0.750  0.911  0.617  1.0
  B  B23  1  0.250  0.089  0.383  1.0
  O  O24  1  0.083  0.628  0.170  1.0
  O  O25  1  0.917  0.372  0.830  1.0
  O  O26  1  0.917  0.872  0.670  1.0
  O  O27  1  0.583  0.372  0.830  1.0
  O  O28  1  0.083  0.128  0.330  1.0
  O  O29  1  0.417  0.628  0.170  1.0
  O  O30  1  0.417  0.128  0.330  1.0
  O  O31  1  0.583  0.872  0.670  1.0
  O  O32  1  0.250  0.509  0.012  1.0
  O  O33  1  0.750  0.491  0.988  1.0
  O  O34  1  0.750  0.991  0.512  1.0
  O  O35  1  0.250  0.009  0.488  1.0
  O  O36  1  0.250  0.621  0.741  1.0
  O  O37  1  0.750  0.379  0.259  1.0
  O  O38  1  0.750  0.879  0.241  1.0
  O  O39  1  0.250  0.121  0.759  1.0
  O  O40  1  0.250  0.660  0.533  1.0
  O  O41  1  0.750  0.340  0.467  1.0
  O  O42  1  0.750  0.840  0.033  1.0
  O  O43  1  0.250  0.160  0.967  1.0
  O  O44  1  0.250  0.912  0.885  1.0
  O  O45  1  0.750  0.088  0.115  1.0
  O  O46  1  0.750  0.588  0.385  1.0
  O  O47  1  0.250  0.412  0.615  1.0
[/CIF]
.