The compound described by KNdP4O12 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(1), one P(1), and one P(2) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one Nd(1), and one P(2) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Nd(1) and one P(2) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Nd(1) and one P(1) atom. In the sixth O site, O(5) is bonded in a distorted single-bond geometry to one K(1), one Nd(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNd(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.335
_cell_length_b   7.335
_cell_length_c   10.602
_cell_angle_alpha   100.814
_cell_angle_beta   100.814
_cell_angle_gamma   115.183
_symmetry_Int_Tables_number   1
_cell_volume   483.495
_cell_formula_units_Z   2
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  0.317  0.183  0.750  1.0
  K  K1  1  0.683  0.817  0.250  1.0
  Nd  Nd2  1  0.620  0.880  0.750  1.0
  Nd  Nd3  1  0.380  0.120  0.250  1.0
  P  P4  1  0.194  0.739  0.440  1.0
  P  P5  1  0.870  0.713  0.001  1.0
  P  P6  1  0.130  0.287  0.999  1.0
  P  P7  1  0.761  0.306  0.060  1.0
  P  P8  1  0.806  0.261  0.560  1.0
  P  P9  1  0.239  0.694  0.940  1.0
  P  P10  1  0.787  0.630  0.499  1.0
  P  P11  1  0.213  0.370  0.501  1.0
  O  O12  1  0.035  0.284  0.574  1.0
  O  O13  1  0.412  0.507  0.613  1.0
  O  O14  1  0.965  0.716  0.426  1.0
  O  O15  1  0.807  0.818  0.596  1.0
  O  O16  1  0.745  0.196  0.675  1.0
  O  O17  1  0.993  0.088  0.887  1.0
  O  O18  1  0.588  0.493  0.387  1.0
  O  O19  1  0.362  0.832  0.080  1.0
  O  O20  1  0.007  0.912  0.113  1.0
  O  O21  1  0.784  0.535  0.074  1.0
  O  O22  1  0.304  0.755  0.825  1.0
  O  O23  1  0.682  0.693  0.904  1.0
  O  O24  1  0.638  0.168  0.920  1.0
  O  O25  1  0.255  0.804  0.325  1.0
  O  O26  1  0.318  0.307  0.096  1.0
  O  O27  1  0.997  0.644  0.915  1.0
  O  O28  1  0.332  0.862  0.580  1.0
  O  O29  1  0.216  0.465  0.926  1.0
  O  O30  1  0.856  0.503  0.585  1.0
  O  O31  1  0.668  0.138  0.420  1.0
  O  O32  1  0.696  0.245  0.175  1.0
  O  O33  1  0.193  0.182  0.404  1.0
  O  O34  1  0.003  0.356  0.085  1.0
  O  O35  1  0.144  0.497  0.415  1.0
[/CIF]
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The compound described by KNdP4O12 crystallizes in the monoclinic C2/c space group. K(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. Nd(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form corner-sharing PO4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form corner-sharing PO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted bent 150 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(1) is bonded in a distorted bent 150 degrees geometry to one K(1), one P(1), and one P(2) atom. In the third O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one Nd(1), and one P(2) atom. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Nd(1) and one P(2) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Nd(1) and one P(1) atom. In the sixth O site, O(5) is bonded in a distorted single-bond geometry to one K(1), one Nd(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KNd(PO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.335
_cell_length_b   7.335
_cell_length_c   10.602
_cell_angle_alpha   100.814
_cell_angle_beta   100.814
_cell_angle_gamma   115.183
_symmetry_Int_Tables_number   1
_cell_volume   483.495
_cell_formula_units_Z   2
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  0.317  0.183  0.750  1.0
  K  K1  1  0.683  0.817  0.250  1.0
  Nd  Nd2  1  0.620  0.880  0.750  1.0
  Nd  Nd3  1  0.380  0.120  0.250  1.0
  P  P4  1  0.194  0.739  0.440  1.0
  P  P5  1  0.870  0.713  0.001  1.0
  P  P6  1  0.130  0.287  0.999  1.0
  P  P7  1  0.761  0.306  0.060  1.0
  P  P8  1  0.806  0.261  0.560  1.0
  P  P9  1  0.239  0.694  0.940  1.0
  P  P10  1  0.787  0.630  0.499  1.0
  P  P11  1  0.213  0.370  0.501  1.0
  O  O12  1  0.035  0.284  0.574  1.0
  O  O13  1  0.412  0.507  0.613  1.0
  O  O14  1  0.965  0.716  0.426  1.0
  O  O15  1  0.807  0.818  0.596  1.0
  O  O16  1  0.745  0.196  0.675  1.0
  O  O17  1  0.993  0.088  0.887  1.0
  O  O18  1  0.588  0.493  0.387  1.0
  O  O19  1  0.362  0.832  0.080  1.0
  O  O20  1  0.007  0.912  0.113  1.0
  O  O21  1  0.784  0.535  0.074  1.0
  O  O22  1  0.304  0.755  0.825  1.0
  O  O23  1  0.682  0.693  0.904  1.0
  O  O24  1  0.638  0.168  0.920  1.0
  O  O25  1  0.255  0.804  0.325  1.0
  O  O26  1  0.318  0.307  0.096  1.0
  O  O27  1  0.997  0.644  0.915  1.0
  O  O28  1  0.332  0.862  0.580  1.0
  O  O29  1  0.216  0.465  0.926  1.0
  O  O30  1  0.856  0.503  0.585  1.0
  O  O31  1  0.668  0.138  0.420  1.0
  O  O32  1  0.696  0.245  0.175  1.0
  O  O33  1  0.193  0.182  0.404  1.0
  O  O34  1  0.003  0.356  0.085  1.0
  O  O35  1  0.144  0.497  0.415  1.0
[/CIF]
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