The structure described by PrSc3(BO3)4 is Calcite-derived structured and crystallizes in the monoclinic C2/c space group. Pr(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form edge-sharing ScO6 octahedra. In the second Sc site, Sc(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form edge-sharing ScO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(2), and one B(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Pr(1), one Sc(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Pr(1), one Sc(2), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Sc(1) and one B(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Pr(1), one Sc(1), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(2), and one B(1) atom. is represented by the CIF card [CIF]
data_PrSc3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.309
_cell_length_b   6.309
_cell_length_c   12.160
_cell_angle_alpha   80.559
_cell_angle_beta   80.559
_cell_angle_gamma   103.621
_symmetry_Int_Tables_number   1
_cell_volume   453.508
_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
  Pr  Pr0  1  0.032  0.968  0.750  1.0
  Pr  Pr1  1  0.968  0.032  0.250  1.0
  Sc  Sc2  1  0.297  0.798  0.476  1.0
  Sc  Sc3  1  0.202  0.703  0.024  1.0
  Sc  Sc4  1  0.703  0.202  0.524  1.0
  Sc  Sc5  1  0.798  0.297  0.976  1.0
  Sc  Sc6  1  0.574  0.426  0.750  1.0
  Sc  Sc7  1  0.426  0.574  0.250  1.0
  B  B8  1  0.270  0.222  1.000  1.0
  B  B9  1  0.778  0.730  0.500  1.0
  B  B10  1  0.730  0.778  0.000  1.0
  B  B11  1  0.222  0.270  0.500  1.0
  B  B12  1  0.505  0.899  0.774  1.0
  B  B13  1  0.101  0.495  0.726  1.0
  B  B14  1  0.495  0.101  0.226  1.0
  B  B15  1  0.899  0.505  0.274  1.0
  O  O16  1  0.111  0.569  0.205  1.0
  O  O17  1  0.431  0.889  0.295  1.0
  O  O18  1  0.889  0.431  0.795  1.0
  O  O19  1  0.569  0.111  0.705  1.0
  O  O20  1  0.991  0.813  0.432  1.0
  O  O21  1  0.187  0.009  0.068  1.0
  O  O22  1  0.009  0.187  0.568  1.0
  O  O23  1  0.813  0.991  0.932  1.0
  O  O24  1  0.643  0.760  0.761  1.0
  O  O25  1  0.240  0.357  0.739  1.0
  O  O26  1  0.357  0.240  0.239  1.0
  O  O27  1  0.760  0.643  0.261  1.0
  O  O28  1  0.133  0.364  0.004  1.0
  O  O29  1  0.636  0.867  0.496  1.0
  O  O30  1  0.867  0.636  0.996  1.0
  O  O31  1  0.364  0.133  0.504  1.0
  O  O32  1  0.837  0.303  0.351  1.0
  O  O33  1  0.697  0.163  0.149  1.0
  O  O34  1  0.163  0.697  0.649  1.0
  O  O35  1  0.303  0.837  0.851  1.0
  O  O36  1  0.292  0.484  0.432  1.0
  O  O37  1  0.516  0.708  0.068  1.0
  O  O38  1  0.708  0.516  0.568  1.0
  O  O39  1  0.484  0.292  0.932  1.0
[/CIF]
.
The structure described by PrSc3(BO3)4 is Calcite-derived structured and crystallizes in the monoclinic C2/c space group. Pr(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(1), one O(2), one O(5), one O(6), and two equivalent O(4) atoms to form edge-sharing ScO6 octahedra. In the second Sc site, Sc(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form edge-sharing ScO6 octahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(4), and one O(6) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(2), and one B(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Pr(1), one Sc(1), and one B(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Pr(1), one Sc(2), and one B(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Sc(1) and one B(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Pr(1), one Sc(1), and one B(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(2), and one B(1) atom. is represented by the CIF card [CIF]
data_PrSc3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.309
_cell_length_b   6.309
_cell_length_c   12.160
_cell_angle_alpha   80.559
_cell_angle_beta   80.559
_cell_angle_gamma   103.621
_symmetry_Int_Tables_number   1
_cell_volume   453.508
_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
  Pr  Pr0  1  0.032  0.968  0.750  1.0
  Pr  Pr1  1  0.968  0.032  0.250  1.0
  Sc  Sc2  1  0.297  0.798  0.476  1.0
  Sc  Sc3  1  0.202  0.703  0.024  1.0
  Sc  Sc4  1  0.703  0.202  0.524  1.0
  Sc  Sc5  1  0.798  0.297  0.976  1.0
  Sc  Sc6  1  0.574  0.426  0.750  1.0
  Sc  Sc7  1  0.426  0.574  0.250  1.0
  B  B8  1  0.270  0.222  1.000  1.0
  B  B9  1  0.778  0.730  0.500  1.0
  B  B10  1  0.730  0.778  0.000  1.0
  B  B11  1  0.222  0.270  0.500  1.0
  B  B12  1  0.505  0.899  0.774  1.0
  B  B13  1  0.101  0.495  0.726  1.0
  B  B14  1  0.495  0.101  0.226  1.0
  B  B15  1  0.899  0.505  0.274  1.0
  O  O16  1  0.111  0.569  0.205  1.0
  O  O17  1  0.431  0.889  0.295  1.0
  O  O18  1  0.889  0.431  0.795  1.0
  O  O19  1  0.569  0.111  0.705  1.0
  O  O20  1  0.991  0.813  0.432  1.0
  O  O21  1  0.187  0.009  0.068  1.0
  O  O22  1  0.009  0.187  0.568  1.0
  O  O23  1  0.813  0.991  0.932  1.0
  O  O24  1  0.643  0.760  0.761  1.0
  O  O25  1  0.240  0.357  0.739  1.0
  O  O26  1  0.357  0.240  0.239  1.0
  O  O27  1  0.760  0.643  0.261  1.0
  O  O28  1  0.133  0.364  0.004  1.0
  O  O29  1  0.636  0.867  0.496  1.0
  O  O30  1  0.867  0.636  0.996  1.0
  O  O31  1  0.364  0.133  0.504  1.0
  O  O32  1  0.837  0.303  0.351  1.0
  O  O33  1  0.697  0.163  0.149  1.0
  O  O34  1  0.163  0.697  0.649  1.0
  O  O35  1  0.303  0.837  0.851  1.0
  O  O36  1  0.292  0.484  0.432  1.0
  O  O37  1  0.516  0.708  0.068  1.0
  O  O38  1  0.708  0.516  0.568  1.0
  O  O39  1  0.484  0.292  0.932  1.0
[/CIF]
.