The structure described by LaSc3(BO3)4 is Calcite-derived structured and crystallizes in the monoclinic Cc space group. La(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(7), and one O(8) atom. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(12), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form edge-sharing ScO6 octahedra. In the second Sc site, Sc(2) is bonded to one O(1), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form edge-sharing ScO6 octahedra. In the third Sc site, Sc(3) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(5) atom to form edge-sharing ScO6 octahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(6), one O(7), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(9) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(2) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one Sc(2), and one B(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one La(1), one Sc(1), and one B(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(3), and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Sc(2), one Sc(3), and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sc(2), one Sc(3), and one B(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sc(1), one Sc(2), and one B(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one La(1), one Sc(1), and one B(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(1), one Sc(2), and one B(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(2), and one B(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one La(1), one Sc(3), and one B(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one La(1), one Sc(3), and one B(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(3), and one B(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaSc3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.320
_cell_length_b   6.320
_cell_length_c   12.187
_cell_angle_alpha   80.471
_cell_angle_beta   80.471
_cell_angle_gamma   103.686
_symmetry_Int_Tables_number   1
_cell_volume   455.700
_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
  La  La0  1  0.820  0.749  0.256  1.0
  La  La1  1  0.749  0.820  0.756  1.0
  Sc  Sc2  1  0.214  0.364  0.756  1.0
  Sc  Sc3  1  0.094  0.590  0.980  1.0
  Sc  Sc4  1  0.497  0.994  0.030  1.0
  Sc  Sc5  1  0.364  0.214  0.256  1.0
  Sc  Sc6  1  0.590  0.094  0.480  1.0
  Sc  Sc7  1  0.994  0.497  0.530  1.0
  B  B8  1  0.284  0.897  0.732  1.0
  B  B9  1  0.062  0.016  0.505  1.0
  B  B10  1  0.897  0.284  0.232  1.0
  B  B11  1  0.573  0.520  0.006  1.0
  B  B12  1  0.016  0.062  0.005  1.0
  B  B13  1  0.689  0.297  0.780  1.0
  B  B14  1  0.520  0.573  0.506  1.0
  B  B15  1  0.297  0.689  0.280  1.0
  O  O16  1  0.787  0.599  0.938  1.0
  O  O17  1  0.429  0.547  0.267  1.0
  O  O18  1  0.308  0.498  0.574  1.0
  O  O19  1  0.924  0.157  0.510  1.0
  O  O20  1  0.661  0.435  0.499  1.0
  O  O21  1  0.233  0.684  0.799  1.0
  O  O22  1  0.599  0.787  0.438  1.0
  O  O23  1  0.684  0.233  0.299  1.0
  O  O24  1  0.028  0.140  0.248  1.0
  O  O25  1  0.483  0.968  0.653  1.0
  O  O26  1  0.498  0.308  0.074  1.0
  O  O27  1  0.276  0.088  0.437  1.0
  O  O28  1  0.980  0.803  0.572  1.0
  O  O29  1  0.097  0.631  0.357  1.0
  O  O30  1  0.803  0.980  0.072  1.0
  O  O31  1  0.435  0.661  0.999  1.0
  O  O32  1  0.547  0.429  0.767  1.0
  O  O33  1  0.902  0.367  0.711  1.0
  O  O34  1  0.157  0.924  0.010  1.0
  O  O35  1  0.367  0.902  0.211  1.0
  O  O36  1  0.088  0.276  0.937  1.0
  O  O37  1  0.968  0.483  0.153  1.0
  O  O38  1  0.631  0.097  0.857  1.0
  O  O39  1  0.140  0.028  0.748  1.0
[/CIF]
.
The structure described by LaSc3(BO3)4 is Calcite-derived structured and crystallizes in the monoclinic Cc space group. La(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(7), and one O(8) atom. There are three inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(12), one O(2), one O(3), one O(6), one O(7), and one O(9) atom to form edge-sharing ScO6 octahedra. In the second Sc site, Sc(2) is bonded to one O(1), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form edge-sharing ScO6 octahedra. In the third Sc site, Sc(3) is bonded to one O(10), one O(11), one O(12), one O(3), one O(4), and one O(5) atom to form edge-sharing ScO6 octahedra. There are four inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(6), one O(7), and one O(8) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(10), one O(4), and one O(9) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(5) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(11), one O(12), and one O(2) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one La(1), one Sc(2), and one B(3) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one La(1), one Sc(1), and one B(4) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(3), and one B(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Sc(2), one Sc(3), and one B(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Sc(2), one Sc(3), and one B(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Sc(1), one Sc(2), and one B(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one La(1), one Sc(1), and one B(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(1), one Sc(2), and one B(1) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(2), and one B(2) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one La(1), one Sc(3), and one B(2) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one La(1), one Sc(3), and one B(4) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Sc(1), one Sc(3), and one B(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LaSc3(BO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.320
_cell_length_b   6.320
_cell_length_c   12.187
_cell_angle_alpha   80.471
_cell_angle_beta   80.471
_cell_angle_gamma   103.686
_symmetry_Int_Tables_number   1
_cell_volume   455.700
_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
  La  La0  1  0.820  0.749  0.256  1.0
  La  La1  1  0.749  0.820  0.756  1.0
  Sc  Sc2  1  0.214  0.364  0.756  1.0
  Sc  Sc3  1  0.094  0.590  0.980  1.0
  Sc  Sc4  1  0.497  0.994  0.030  1.0
  Sc  Sc5  1  0.364  0.214  0.256  1.0
  Sc  Sc6  1  0.590  0.094  0.480  1.0
  Sc  Sc7  1  0.994  0.497  0.530  1.0
  B  B8  1  0.284  0.897  0.732  1.0
  B  B9  1  0.062  0.016  0.505  1.0
  B  B10  1  0.897  0.284  0.232  1.0
  B  B11  1  0.573  0.520  0.006  1.0
  B  B12  1  0.016  0.062  0.005  1.0
  B  B13  1  0.689  0.297  0.780  1.0
  B  B14  1  0.520  0.573  0.506  1.0
  B  B15  1  0.297  0.689  0.280  1.0
  O  O16  1  0.787  0.599  0.938  1.0
  O  O17  1  0.429  0.547  0.267  1.0
  O  O18  1  0.308  0.498  0.574  1.0
  O  O19  1  0.924  0.157  0.510  1.0
  O  O20  1  0.661  0.435  0.499  1.0
  O  O21  1  0.233  0.684  0.799  1.0
  O  O22  1  0.599  0.787  0.438  1.0
  O  O23  1  0.684  0.233  0.299  1.0
  O  O24  1  0.028  0.140  0.248  1.0
  O  O25  1  0.483  0.968  0.653  1.0
  O  O26  1  0.498  0.308  0.074  1.0
  O  O27  1  0.276  0.088  0.437  1.0
  O  O28  1  0.980  0.803  0.572  1.0
  O  O29  1  0.097  0.631  0.357  1.0
  O  O30  1  0.803  0.980  0.072  1.0
  O  O31  1  0.435  0.661  0.999  1.0
  O  O32  1  0.547  0.429  0.767  1.0
  O  O33  1  0.902  0.367  0.711  1.0
  O  O34  1  0.157  0.924  0.010  1.0
  O  O35  1  0.367  0.902  0.211  1.0
  O  O36  1  0.088  0.276  0.937  1.0
  O  O37  1  0.968  0.483  0.153  1.0
  O  O38  1  0.631  0.097  0.857  1.0
  O  O39  1  0.140  0.028  0.748  1.0
[/CIF]
.