The structure described by Ca3La3(BO3)5 crystallizes in the hexagonal P6_3mc space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. La(1) is bonded in a 10-coordinate geometry to one O(2), two equivalent O(1), three equivalent O(4), and four equivalent O(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to three equivalent O(4) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Ca(1), two equivalent La(1), and one B(3) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to three equivalent La(1) and one B(1) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ca(1), two equivalent La(1), and one B(2) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one La(1), and one B(3) atom. is represented by the CIF file [CIF]
data_Ca3La3(BO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.605
_cell_length_b   10.605
_cell_length_c   6.445
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   627.654
_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
  Ca  Ca0  1  0.473  0.527  0.764  1.0
  Ca  Ca1  1  0.946  0.473  0.264  1.0
  Ca  Ca2  1  0.527  0.054  0.264  1.0
  Ca  Ca3  1  0.473  0.946  0.764  1.0
  Ca  Ca4  1  0.054  0.527  0.764  1.0
  Ca  Ca5  1  0.527  0.473  0.264  1.0
  La  La6  1  0.156  0.844  0.080  1.0
  La  La7  1  0.311  0.156  0.580  1.0
  La  La8  1  0.844  0.689  0.580  1.0
  La  La9  1  0.156  0.311  0.080  1.0
  La  La10  1  0.689  0.844  0.080  1.0
  La  La11  1  0.844  0.156  0.580  1.0
  B  B12  1  0.000  0.000  0.746  1.0
  B  B13  1  0.333  0.667  0.098  1.0
  B  B14  1  0.667  0.333  0.598  1.0
  B  B15  1  0.000  0.000  0.246  1.0
  B  B16  1  0.802  0.198  0.048  1.0
  B  B17  1  0.604  0.802  0.548  1.0
  B  B18  1  0.198  0.396  0.548  1.0
  B  B19  1  0.802  0.604  0.048  1.0
  B  B20  1  0.396  0.198  0.048  1.0
  B  B21  1  0.198  0.802  0.548  1.0
  O  O22  1  0.181  0.590  0.098  1.0
  O  O23  1  0.590  0.410  0.598  1.0
  O  O24  1  0.410  0.819  0.098  1.0
  O  O25  1  0.590  0.181  0.598  1.0
  O  O26  1  0.819  0.410  0.598  1.0
  O  O27  1  0.410  0.590  0.098  1.0
  O  O28  1  0.226  0.774  0.745  1.0
  O  O29  1  0.452  0.226  0.245  1.0
  O  O30  1  0.774  0.548  0.245  1.0
  O  O31  1  0.774  0.226  0.245  1.0
  O  O32  1  0.226  0.452  0.745  1.0
  O  O33  1  0.548  0.774  0.745  1.0
  O  O34  1  0.628  0.928  0.446  1.0
  O  O35  1  0.700  0.628  0.946  1.0
  O  O36  1  0.928  0.300  0.946  1.0
  O  O37  1  0.072  0.700  0.446  1.0
  O  O38  1  0.300  0.372  0.446  1.0
  O  O39  1  0.372  0.072  0.946  1.0
  O  O40  1  0.300  0.928  0.446  1.0
  O  O41  1  0.628  0.700  0.446  1.0
  O  O42  1  0.072  0.372  0.446  1.0
  O  O43  1  0.928  0.628  0.946  1.0
  O  O44  1  0.700  0.072  0.946  1.0
  O  O45  1  0.372  0.300  0.946  1.0
  O  O46  1  0.075  0.925  0.740  1.0
  O  O47  1  0.151  0.075  0.240  1.0
  O  O48  1  0.925  0.849  0.240  1.0
  O  O49  1  0.075  0.151  0.740  1.0
  O  O50  1  0.849  0.925  0.740  1.0
  O  O51  1  0.925  0.075  0.240  1.0
[/CIF]
.
The structure described by Ca3La3(BO3)5 crystallizes in the hexagonal P6_3mc space group. Ca(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(3) atoms. La(1) is bonded in a 10-coordinate geometry to one O(2), two equivalent O(1), three equivalent O(4), and four equivalent O(3) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to three equivalent O(4) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to three equivalent O(1) atoms. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(2) and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(3) is bonded in a 1-coordinate geometry to two equivalent Ca(1), two equivalent La(1), and one B(3) atom. In the second O site, O(4) is bonded in a distorted single-bond geometry to three equivalent La(1) and one B(1) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Ca(1), two equivalent La(1), and one B(2) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one La(1), and one B(3) atom. is represented by the CIF file [CIF]
data_Ca3La3(BO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.605
_cell_length_b   10.605
_cell_length_c   6.445
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   627.654
_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
  Ca  Ca0  1  0.473  0.527  0.764  1.0
  Ca  Ca1  1  0.946  0.473  0.264  1.0
  Ca  Ca2  1  0.527  0.054  0.264  1.0
  Ca  Ca3  1  0.473  0.946  0.764  1.0
  Ca  Ca4  1  0.054  0.527  0.764  1.0
  Ca  Ca5  1  0.527  0.473  0.264  1.0
  La  La6  1  0.156  0.844  0.080  1.0
  La  La7  1  0.311  0.156  0.580  1.0
  La  La8  1  0.844  0.689  0.580  1.0
  La  La9  1  0.156  0.311  0.080  1.0
  La  La10  1  0.689  0.844  0.080  1.0
  La  La11  1  0.844  0.156  0.580  1.0
  B  B12  1  0.000  0.000  0.746  1.0
  B  B13  1  0.333  0.667  0.098  1.0
  B  B14  1  0.667  0.333  0.598  1.0
  B  B15  1  0.000  0.000  0.246  1.0
  B  B16  1  0.802  0.198  0.048  1.0
  B  B17  1  0.604  0.802  0.548  1.0
  B  B18  1  0.198  0.396  0.548  1.0
  B  B19  1  0.802  0.604  0.048  1.0
  B  B20  1  0.396  0.198  0.048  1.0
  B  B21  1  0.198  0.802  0.548  1.0
  O  O22  1  0.181  0.590  0.098  1.0
  O  O23  1  0.590  0.410  0.598  1.0
  O  O24  1  0.410  0.819  0.098  1.0
  O  O25  1  0.590  0.181  0.598  1.0
  O  O26  1  0.819  0.410  0.598  1.0
  O  O27  1  0.410  0.590  0.098  1.0
  O  O28  1  0.226  0.774  0.745  1.0
  O  O29  1  0.452  0.226  0.245  1.0
  O  O30  1  0.774  0.548  0.245  1.0
  O  O31  1  0.774  0.226  0.245  1.0
  O  O32  1  0.226  0.452  0.745  1.0
  O  O33  1  0.548  0.774  0.745  1.0
  O  O34  1  0.628  0.928  0.446  1.0
  O  O35  1  0.700  0.628  0.946  1.0
  O  O36  1  0.928  0.300  0.946  1.0
  O  O37  1  0.072  0.700  0.446  1.0
  O  O38  1  0.300  0.372  0.446  1.0
  O  O39  1  0.372  0.072  0.946  1.0
  O  O40  1  0.300  0.928  0.446  1.0
  O  O41  1  0.628  0.700  0.446  1.0
  O  O42  1  0.072  0.372  0.446  1.0
  O  O43  1  0.928  0.628  0.946  1.0
  O  O44  1  0.700  0.072  0.946  1.0
  O  O45  1  0.372  0.300  0.946  1.0
  O  O46  1  0.075  0.925  0.740  1.0
  O  O47  1  0.151  0.075  0.240  1.0
  O  O48  1  0.925  0.849  0.240  1.0
  O  O49  1  0.075  0.151  0.740  1.0
  O  O50  1  0.849  0.925  0.740  1.0
  O  O51  1  0.925  0.075  0.240  1.0
[/CIF]
.