The compound described by Ca(BO2)3 crystallizes in the orthorhombic Pna2_1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. In the second B site, B(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing BO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one B(2), and one B(3) atom. In the second O site, O(6) is bonded in a 1-coordinate geometry to two equivalent Ca(1) and one B(2) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one B(1), and one B(2) atom. In the fourth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one B(1), and one B(3) atom. In the fifth O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one B(2), and one B(3) atom. In the sixth O site, O(4) is bonded in a 2-coordinate geometry to one Ca(1), one B(1), and one B(3) atom. is represented by the CIF file [CIF]
data_Ca(BO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.463
_cell_length_b   7.029
_cell_length_c   13.717
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   430.308
_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
  Ca  Ca0  1  0.994  0.274  0.409  1.0
  Ca  Ca1  1  0.494  0.726  0.591  1.0
  Ca  Ca2  1  0.494  0.774  0.091  1.0
  Ca  Ca3  1  0.994  0.226  0.909  1.0
  B  B4  1  0.344  0.403  0.231  1.0
  B  B5  1  0.844  0.597  0.769  1.0
  B  B6  1  0.844  0.903  0.269  1.0
  B  B7  1  0.344  0.097  0.731  1.0
  B  B8  1  0.543  0.286  0.074  1.0
  B  B9  1  0.043  0.714  0.926  1.0
  B  B10  1  0.043  0.786  0.426  1.0
  B  B11  1  0.543  0.214  0.574  1.0
  B  B12  1  0.050  0.155  0.146  1.0
  B  B13  1  0.550  0.845  0.854  1.0
  B  B14  1  0.550  0.655  0.354  1.0
  B  B15  1  0.050  0.345  0.646  1.0
  O  O16  1  0.485  0.446  0.145  1.0
  O  O17  1  0.985  0.554  0.855  1.0
  O  O18  1  0.985  0.946  0.355  1.0
  O  O19  1  0.485  0.054  0.645  1.0
  O  O20  1  0.109  0.275  0.233  1.0
  O  O21  1  0.609  0.725  0.767  1.0
  O  O22  1  0.609  0.775  0.267  1.0
  O  O23  1  0.109  0.225  0.733  1.0
  O  O24  1  0.347  0.117  0.096  1.0
  O  O25  1  0.847  0.883  0.904  1.0
  O  O26  1  0.847  0.617  0.404  1.0
  O  O27  1  0.347  0.383  0.596  1.0
  O  O28  1  0.422  0.473  0.321  1.0
  O  O29  1  0.922  0.527  0.679  1.0
  O  O30  1  0.922  0.973  0.179  1.0
  O  O31  1  0.422  0.027  0.821  1.0
  O  O32  1  0.858  0.239  0.073  1.0
  O  O33  1  0.358  0.761  0.927  1.0
  O  O34  1  0.358  0.739  0.427  1.0
  O  O35  1  0.858  0.261  0.573  1.0
  O  O36  1  0.452  0.322  0.975  1.0
  O  O37  1  0.952  0.678  0.025  1.0
  O  O38  1  0.952  0.822  0.525  1.0
  O  O39  1  0.452  0.178  0.475  1.0
[/CIF]
.
The compound described by Ca(BO2)3 crystallizes in the orthorhombic Pna2_1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms. There are three inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. In the second B site, B(2) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form corner-sharing BO4 tetrahedra. In the third B site, B(3) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form corner-sharing BO4 tetrahedra. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal planar geometry to one Ca(1), one B(2), and one B(3) atom. In the second O site, O(6) is bonded in a 1-coordinate geometry to two equivalent Ca(1) and one B(2) atom. In the third O site, O(1) is bonded in a distorted trigonal planar geometry to one Ca(1), one B(1), and one B(2) atom. In the fourth O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one B(1), and one B(3) atom. In the fifth O site, O(3) is bonded in a distorted trigonal planar geometry to one Ca(1), one B(2), and one B(3) atom. In the sixth O site, O(4) is bonded in a 2-coordinate geometry to one Ca(1), one B(1), and one B(3) atom. is represented by the CIF file [CIF]
data_Ca(BO2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.463
_cell_length_b   7.029
_cell_length_c   13.717
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   430.308
_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
  Ca  Ca0  1  0.994  0.274  0.409  1.0
  Ca  Ca1  1  0.494  0.726  0.591  1.0
  Ca  Ca2  1  0.494  0.774  0.091  1.0
  Ca  Ca3  1  0.994  0.226  0.909  1.0
  B  B4  1  0.344  0.403  0.231  1.0
  B  B5  1  0.844  0.597  0.769  1.0
  B  B6  1  0.844  0.903  0.269  1.0
  B  B7  1  0.344  0.097  0.731  1.0
  B  B8  1  0.543  0.286  0.074  1.0
  B  B9  1  0.043  0.714  0.926  1.0
  B  B10  1  0.043  0.786  0.426  1.0
  B  B11  1  0.543  0.214  0.574  1.0
  B  B12  1  0.050  0.155  0.146  1.0
  B  B13  1  0.550  0.845  0.854  1.0
  B  B14  1  0.550  0.655  0.354  1.0
  B  B15  1  0.050  0.345  0.646  1.0
  O  O16  1  0.485  0.446  0.145  1.0
  O  O17  1  0.985  0.554  0.855  1.0
  O  O18  1  0.985  0.946  0.355  1.0
  O  O19  1  0.485  0.054  0.645  1.0
  O  O20  1  0.109  0.275  0.233  1.0
  O  O21  1  0.609  0.725  0.767  1.0
  O  O22  1  0.609  0.775  0.267  1.0
  O  O23  1  0.109  0.225  0.733  1.0
  O  O24  1  0.347  0.117  0.096  1.0
  O  O25  1  0.847  0.883  0.904  1.0
  O  O26  1  0.847  0.617  0.404  1.0
  O  O27  1  0.347  0.383  0.596  1.0
  O  O28  1  0.422  0.473  0.321  1.0
  O  O29  1  0.922  0.527  0.679  1.0
  O  O30  1  0.922  0.973  0.179  1.0
  O  O31  1  0.422  0.027  0.821  1.0
  O  O32  1  0.858  0.239  0.073  1.0
  O  O33  1  0.358  0.761  0.927  1.0
  O  O34  1  0.358  0.739  0.427  1.0
  O  O35  1  0.858  0.261  0.573  1.0
  O  O36  1  0.452  0.322  0.975  1.0
  O  O37  1  0.952  0.678  0.025  1.0
  O  O38  1  0.952  0.822  0.525  1.0
  O  O39  1  0.452  0.178  0.475  1.0
[/CIF]
.