The material described by LiZnBO3 crystallizes in the monoclinic Cc space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with five equivalent Zn(1)O4 tetrahedra. Zn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra and corners with five equivalent Li(1)O4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Zn(1), and one B(1) atom to form distorted OLi2ZnB tetrahedra that share corners with two equivalent O(1)Li2ZnB tetrahedra and corners with five equivalent O(3)LiZn2B tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Zn(1), and one B(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Zn(1), and one B(1) atom to form distorted OLiZn2B tetrahedra that share corners with two equivalent O(3)LiZn2B tetrahedra and corners with five equivalent O(1)Li2ZnB tetrahedra. is represented by the CIF card [CIF]
data_LiZnBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.079
_cell_length_b   5.079
_cell_length_c   6.010
_cell_angle_alpha   65.063
_cell_angle_beta   65.063
_cell_angle_gamma   59.799
_symmetry_Int_Tables_number   1
_cell_volume   117.088
_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
  Li  Li0  1  0.940  0.772  0.681  1.0
  Li  Li1  1  0.772  0.940  0.181  1.0
  Zn  Zn2  1  0.279  0.105  0.674  1.0
  Zn  Zn3  1  0.105  0.279  0.174  1.0
  B  B4  1  0.413  0.591  0.252  1.0
  B  B5  1  0.591  0.413  0.752  1.0
  O  O6  1  0.132  0.853  0.271  1.0
  O  O7  1  0.853  0.132  0.771  1.0
  O  O8  1  0.690  0.602  0.217  1.0
  O  O9  1  0.402  0.302  0.291  1.0
  O  O10  1  0.302  0.402  0.791  1.0
  O  O11  1  0.602  0.690  0.717  1.0
[/CIF]
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The material described by LiZnBO3 crystallizes in the monoclinic Cc space group. Li(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with five equivalent Zn(1)O4 tetrahedra. Zn(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with two equivalent Zn(1)O4 tetrahedra and corners with five equivalent Li(1)O4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Zn(1), and one B(1) atom to form distorted OLi2ZnB tetrahedra that share corners with two equivalent O(1)Li2ZnB tetrahedra and corners with five equivalent O(3)LiZn2B tetrahedra. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Zn(1), and one B(1) atom. In the third O site, O(3) is bonded to one Li(1), two equivalent Zn(1), and one B(1) atom to form distorted OLiZn2B tetrahedra that share corners with two equivalent O(3)LiZn2B tetrahedra and corners with five equivalent O(1)Li2ZnB tetrahedra. is represented by the CIF card [CIF]
data_LiZnBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.079
_cell_length_b   5.079
_cell_length_c   6.010
_cell_angle_alpha   65.063
_cell_angle_beta   65.063
_cell_angle_gamma   59.799
_symmetry_Int_Tables_number   1
_cell_volume   117.088
_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
  Li  Li0  1  0.940  0.772  0.681  1.0
  Li  Li1  1  0.772  0.940  0.181  1.0
  Zn  Zn2  1  0.279  0.105  0.674  1.0
  Zn  Zn3  1  0.105  0.279  0.174  1.0
  B  B4  1  0.413  0.591  0.252  1.0
  B  B5  1  0.591  0.413  0.752  1.0
  O  O6  1  0.132  0.853  0.271  1.0
  O  O7  1  0.853  0.132  0.771  1.0
  O  O8  1  0.690  0.602  0.217  1.0
  O  O9  1  0.402  0.302  0.291  1.0
  O  O10  1  0.302  0.402  0.791  1.0
  O  O11  1  0.602  0.690  0.717  1.0
[/CIF]
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