The material described by Na3La2(BO3)3 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a distorted water-like geometry to two equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. La(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(4) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Na(3), two equivalent La(1), and one B(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), two equivalent La(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Na(2), one Na(3), two equivalent La(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), two equivalent La(1), and one B(1) atom. is represented by the CIF file [CIF]
data_Na3La2(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.778
_cell_length_b   6.778
_cell_length_c   5.183
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.280
_symmetry_Int_Tables_number   1
_cell_volume   217.036
_cell_formula_units_Z   1
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
  Na  Na0  1  0.458  0.458  0.000  1.0
  Na  Na1  1  0.129  0.129  0.500  1.0
  Na  Na2  1  0.711  0.711  0.500  1.0
  La  La3  1  0.617  0.043  0.000  1.0
  La  La4  1  0.043  0.617  0.000  1.0
  B  B5  1  0.722  0.292  0.500  1.0
  B  B6  1  0.058  0.058  0.000  1.0
  B  B7  1  0.292  0.722  0.500  1.0
  O  O8  1  0.868  0.868  0.000  1.0
  O  O9  1  0.045  0.255  0.000  1.0
  O  O10  1  0.100  0.750  0.500  1.0
  O  O11  1  0.701  0.383  0.734  1.0
  O  O12  1  0.255  0.045  0.000  1.0
  O  O13  1  0.750  0.100  0.500  1.0
  O  O14  1  0.383  0.701  0.734  1.0
  O  O15  1  0.701  0.383  0.266  1.0
  O  O16  1  0.383  0.701  0.266  1.0
[/CIF]
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The material described by Na3La2(BO3)3 crystallizes in the orthorhombic Amm2 space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a 6-coordinate geometry to two equivalent O(2) and four equivalent O(4) atoms. In the second Na site, Na(2) is bonded in a distorted water-like geometry to two equivalent O(3) atoms. In the third Na site, Na(3) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. La(1) is bonded in a 9-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and four equivalent O(4) atoms. There are two inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(3) and two equivalent O(4) atoms. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Na(3), two equivalent La(1), and one B(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), two equivalent La(1), and one B(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Na(2), one Na(3), two equivalent La(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 5-coordinate geometry to one Na(1), one Na(3), two equivalent La(1), and one B(1) atom. is represented by the CIF file [CIF]
data_Na3La2(BO3)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.778
_cell_length_b   6.778
_cell_length_c   5.183
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   114.280
_symmetry_Int_Tables_number   1
_cell_volume   217.036
_cell_formula_units_Z   1
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
  Na  Na0  1  0.458  0.458  0.000  1.0
  Na  Na1  1  0.129  0.129  0.500  1.0
  Na  Na2  1  0.711  0.711  0.500  1.0
  La  La3  1  0.617  0.043  0.000  1.0
  La  La4  1  0.043  0.617  0.000  1.0
  B  B5  1  0.722  0.292  0.500  1.0
  B  B6  1  0.058  0.058  0.000  1.0
  B  B7  1  0.292  0.722  0.500  1.0
  O  O8  1  0.868  0.868  0.000  1.0
  O  O9  1  0.045  0.255  0.000  1.0
  O  O10  1  0.100  0.750  0.500  1.0
  O  O11  1  0.701  0.383  0.734  1.0
  O  O12  1  0.255  0.045  0.000  1.0
  O  O13  1  0.750  0.100  0.500  1.0
  O  O14  1  0.383  0.701  0.734  1.0
  O  O15  1  0.701  0.383  0.266  1.0
  O  O16  1  0.383  0.701  0.266  1.0
[/CIF]
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