The structure described by LiCrBO3 crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(7), and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Cr(1)O5 square pyramids, corners with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Cr(3)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(10), one O(6), and two equivalent O(5) atoms to form LiO4 tetrahedra that share corners with two equivalent Cr(4)O5 square pyramids, corners with two equivalent Li(2)O4 tetrahedra, and edges with two equivalent Cr(2)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(13), one O(8), and two equivalent O(15) atoms to form LiO4 tetrahedra that share corners with two equivalent Cr(1)O5 square pyramids, corners with two equivalent Cr(4)O5 square pyramids, corners with two equivalent Cr(6)O5 square pyramids, and corners with two equivalent Li(3)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), and two equivalent O(16) atoms to form LiO4 tetrahedra that share corners with two equivalent Cr(7)O5 square pyramids, corners with two equivalent Li(4)O4 tetrahedra, and edges with two equivalent Cr(5)O5 trigonal bipyramids. In the fifth Li site, Li(5) is bonded to one O(14), one O(21), and two equivalent O(17) atoms to form LiO4 tetrahedra that share corners with two equivalent Cr(6)O5 square pyramids, corners with two equivalent Cr(8)O5 square pyramids, corners with two equivalent Li(5)O4 tetrahedra, and corners with two equivalent Cr(5)O5 trigonal bipyramids. In the sixth Li site, Li(6) is bonded to one O(22), one O(9), and two equivalent O(18) atoms to form LiO4 tetrahedra that share corners with two equivalent Cr(6)O5 square pyramids, corners with two equivalent Cr(9)O5 square pyramids, corners with two equivalent Li(6)O4 tetrahedra, and corners with two equivalent Cr(3)O5 trigonal bipyramids. In the seventh Li site, Li(7) is bonded to one O(1), one O(24), and two equivalent O(20) atoms to form LiO4 tetrahedra that share corners with two equivalent Cr(1)O5 square pyramids, corners with two equivalent Cr(7)O5 square pyramids, corners with two equivalent Cr(8)O5 square pyramids, and corners with two equivalent Li(7)O4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(2), one O(23), and two equivalent O(26) atoms to form LiO4 tetrahedra that share corners with two equivalent Cr(8)O5 square pyramids, corners with two equivalent Cr(9)O5 square pyramids, corners with two equivalent Li(8)O4 tetrahedra, and corners with two equivalent Cr(2)O5 trigonal bipyramids. In the ninth Li site, Li(9) is bonded to one O(19), one O(25), and two equivalent O(27) atoms to form LiO4 tetrahedra that share corners with two equivalent Cr(4)O5 square pyramids, corners with two equivalent Cr(7)O5 square pyramids, corners with two equivalent Cr(9)O5 square pyramids, and corners with two equivalent Li(9)O4 tetrahedra. There are nine inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(15), two equivalent O(1), and two equivalent O(3) atoms to form distorted CrO5 square pyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, and edges with two equivalent Cr(1)O5 square pyramids. In the second Cr site, Cr(2) is bonded to one O(5), two equivalent O(2), and two equivalent O(6) atoms to form distorted CrO5 trigonal bipyramids that share corners with two equivalent Li(8)O4 tetrahedra, edges with two equivalent Li(2)O4 tetrahedra, and edges with two equivalent Cr(2)O5 trigonal bipyramids. In the third Cr site, Cr(3) is bonded to one O(4), two equivalent O(7), and two equivalent O(9) atoms to form distorted CrO5 trigonal bipyramids that share corners with two equivalent Li(6)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Cr(3)O5 trigonal bipyramids. In the fourth Cr site, Cr(4) is bonded to one O(27), two equivalent O(10), and two equivalent O(8) atoms to form distorted CrO5 square pyramids that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, and edges with two equivalent Cr(4)O5 square pyramids. In the fifth Cr site, Cr(5) is bonded to one O(16), two equivalent O(11), and two equivalent O(14) atoms to form distorted CrO5 trigonal bipyramids that share corners with two equivalent Li(5)O4 tetrahedra, edges with two equivalent Li(4)O4 tetrahedra, and edges with two equivalent Cr(5)O5 trigonal bipyramids. In the sixth Cr site, Cr(6) is bonded to one O(18), two equivalent O(13), and two equivalent O(21) atoms to form CrO5 square pyramids that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and edges with two equivalent Cr(6)O5 square pyramids. In the seventh Cr site, Cr(7) is bonded to one O(20), two equivalent O(12), and two equivalent O(19) atoms to form distorted CrO5 square pyramids that share corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, and edges with two equivalent Cr(7)O5 square pyramids. In the eighth Cr site, Cr(8) is bonded to one O(17), two equivalent O(23), and two equivalent O(24) atoms to form CrO5 square pyramids that share corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, and edges with two equivalent Cr(8)O5 square pyramids. In the ninth Cr site, Cr(9) is bonded to one O(26), two equivalent O(22), and two equivalent O(25) atoms to form CrO5 square pyramids that share corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, and edges with two equivalent Cr(9)O5 square pyramids. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(6), and one O(7) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(13), and one O(14) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(12), one O(25), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(15), one O(18), and one O(4) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(16), one O(17), and one O(20) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(21), one O(22), and one O(23) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(1), one O(19), and one O(8) atom. In the ninth B site, B(9) is bonded in a trigonal planar geometry to one O(26), one O(27), and one O(5) atom. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(7), two equivalent Cr(1), and one B(8) atom. In the second O site, O(2) is bonded to one Li(8), two equivalent Cr(2), and one B(1) atom to form distorted OLiCr2B tetrahedra that share  a cornercorner with one O(23)LiCr2B tetrahedra,  a cornercorner with one O(24)LiCr2B tetrahedra, corners with two equivalent O(26)Li2CrB tetrahedra, and corners with two equivalent O(2)LiCr2B tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cr(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cr(3), and one B(5) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Cr(2), and one B(9) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Cr(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Cr(3), and one B(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Cr(4), and one B(8) atom. In the ninth O site, O(9) is bonded to one Li(6), two equivalent Cr(3), and one B(4) atom to form distorted OLiCr2B tetrahedra that share  a cornercorner with one O(22)LiCr2B tetrahedra,  a cornercorner with one O(25)LiCr2B tetrahedra, corners with two equivalent O(18)Li2CrB tetrahedra, and corners with two equivalent O(9)LiCr2B tetrahedra. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Cr(4), and one B(3) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Cr(5), and one B(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Cr(7), and one B(4) atom. In the thirteenth O site, O(13) is bonded to one Li(3), two equivalent Cr(6), and one B(3) atom to form distorted OLiCr2B tetrahedra that share  a cornercorner with one O(14)LiCr2B tetrahedra, corners with two equivalent O(15)Li2CrB tetrahedra, corners with two equivalent O(18)Li2CrB tetrahedra, corners with two equivalent O(13)LiCr2B tetrahedra, corners with two equivalent O(21)LiCr2B tetrahedra, and  an edgeedge with one O(21)LiCr2B tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(5), two equivalent Cr(5), and one B(3) atom to form distorted OLiCr2B tetrahedra that share  a cornercorner with one O(13)LiCr2B tetrahedra,  a cornercorner with one O(21)LiCr2B tetrahedra, corners with two equivalent O(17)Li2CrB tetrahedra, and corners with two equivalent O(14)LiCr2B tetrahedra. In the fifteenth O site, O(15) is bonded to two equivalent Li(3), one Cr(1), and one B(5) atom to form distorted OLi2CrB tetrahedra that share  a cornercorner with one O(18)Li2CrB tetrahedra, corners with two equivalent O(15)Li2CrB tetrahedra, and corners with two equivalent O(13)LiCr2B tetrahedra. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to two equivalent Li(4), one Cr(5), and one B(6) atom. In the seventeenth O site, O(17) is bonded to two equivalent Li(5), one Cr(8), and one B(6) atom to form distorted OLi2CrB tetrahedra that share  a cornercorner with one O(20)Li2CrB tetrahedra, corners with two equivalent O(17)Li2CrB tetrahedra, corners with two equivalent O(14)LiCr2B tetrahedra, corners with two equivalent O(21)LiCr2B tetrahedra, corners with two equivalent O(23)LiCr2B tetrahedra, and corners with two equivalent O(24)LiCr2B tetrahedra. In the eighteenth O site, O(18) is bonded to two equivalent Li(6), one Cr(6), and one B(5) atom to form distorted OLi2CrB tetrahedra that share  a cornercorner with one O(15)Li2CrB tetrahedra, corners with two equivalent O(18)Li2CrB tetrahedra, corners with two equivalent O(13)LiCr2B tetrahedra, corners with two equivalent O(21)LiCr2B tetrahedra, corners with two equivalent O(22)LiCr2B tetrahedra, and corners with two equivalent O(9)LiCr2B tetrahedra. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Li(9), two equivalent Cr(7), and one B(8) atom. In the twentieth O site, O(20) is bonded to two equivalent Li(7), one Cr(7), and one B(6) atom to form distorted OLi2CrB tetrahedra that share  a cornercorner with one O(17)Li2CrB tetrahedra, corners with two equivalent O(20)Li2CrB tetrahedra, and corners with two equivalent O(24)LiCr2B tetrahedra. In the twenty-first O site, O(21) is bonded to one Li(5), two equivalent Cr(6), and one B(7) atom to form distorted OLiCr2B tetrahedra that share  a cornercorner with one O(14)LiCr2B tetrahedra,  a cornercorner with one O(22)LiCr2B tetrahedra,  a cornercorner with one O(23)LiCr2B tetrahedra, corners with two equivalent O(17)Li2CrB tetrahedra, corners with two equivalent O(18)Li2CrB tetrahedra, corners with two equivalent O(13)LiCr2B tetrahedra, corners with two equivalent O(21)LiCr2B tetrahedra, and  an edgeedge with one O(13)LiCr2B tetrahedra. In the twenty-second O site, O(22) is bonded to one Li(6), two equivalent Cr(9), and one B(7) atom to form distorted OLiCr2B tetrahedra that share  a cornercorner with one O(21)LiCr2B tetrahedra,  a cornercorner with one O(23)LiCr2B tetrahedra,  a cornercorner with one O(9)LiCr2B tetrahedra, corners with two equivalent O(18)Li2CrB tetrahedra, corners with two equivalent O(26)Li2CrB tetrahedra, corners with two equivalent O(22)LiCr2B tetrahedra, corners with two equivalent O(25)LiCr2B tetrahedra, and  an edgeedge with one O(25)LiCr2B tetrahedra. In the twenty-third O site, O(23) is bonded to one Li(8), two equivalent Cr(8), and one B(7) atom to form distorted OLiCr2B tetrahedra that share  a cornercorner with one O(2)LiCr2B tetrahedra,  a cornercorner with one O(21)LiCr2B tetrahedra,  a cornercorner with one O(22)LiCr2B tetrahedra, corners with two equivalent O(17)Li2CrB tetrahedra, corners with two equivalent O(26)Li2CrB tetrahedra, corners with two equivalent O(23)LiCr2B tetrahedra, corners with two equivalent O(24)LiCr2B tetrahedra, and  an edgeedge with one O(24)LiCr2B tetrahedra. In the twenty-fourth O site, O(24) is bonded to one Li(7), two equivalent Cr(8), and one B(1) atom to form distorted OLiCr2B tetrahedra that share  a cornercorner with one O(2)LiCr2B tetrahedra, corners with two equivalent O(17)Li2CrB tetrahedra, corners with two equivalent O(20)Li2CrB tetrahedra, corners with two equivalent O(23)LiCr2B tetrahedra, corners with two equivalent O(24)LiCr2B tetrahedra, and  an edgeedge with one O(23)LiCr2B tetrahedra. In the twenty-fifth O site, O(25) is bonded to one Li(9), two equivalent Cr(9), and one B(4) atom to form distorted OLiCr2B tetrahedra that share  a cornercorner with one O(9)LiCr2B tetrahedra, corners with two equivalent O(26)Li2CrB tetrahedra, corners with two equivalent O(27)Li2CrB tetrahedra, corners with two equivalent O(22)LiCr2B tetrahedra, corners with two equivalent O(25)LiCr2B tetrahedra, and  an edgeedge with one O(22)LiCr2B tetrahedra. In the twenty-sixth O site, O(26) is bonded to two equivalent Li(8), one Cr(9), and one B(9) atom to form distorted OLi2CrB tetrahedra that share  a cornercorner with one O(27)Li2CrB tetrahedra, corners with two equivalent O(26)Li2CrB tetrahedra, corners with two equivalent O(2)LiCr2B tetrahedra, corners with two equivalent O(22)LiCr2B tetrahedra, corners with two equivalent O(23)LiCr2B tetrahedra, and corners with two equivalent O(25)LiCr2B tetrahedra. In the twenty-seventh O site, O(27) is bonded to two equivalent Li(9), one Cr(4), and one B(9) atom to form distorted OLi2CrB tetrahedra that share  a cornercorner with one O(26)Li2CrB tetrahedra, corners with two equivalent O(27)Li2CrB tetrahedra, and corners with two equivalent O(25)LiCr2B tetrahedra. is represented by the CIF card [CIF]
data_LiCrBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.176
_cell_length_b   14.256
_cell_length_c   14.263
_cell_angle_alpha   60.040
_cell_angle_beta   89.106
_cell_angle_gamma   89.120
_symmetry_Int_Tables_number   1
_cell_volume   559.373
_cell_formula_units_Z   9
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  0.056  0.826  0.745  1.0
  Li  Li1  1  0.005  0.428  0.828  1.0
  Li  Li2  1  0.013  0.097  0.774  1.0
  Li  Li3  1  0.949  0.745  0.429  1.0
  Li  Li4  1  0.971  0.482  0.413  1.0
  Li  Li5  1  0.024  0.106  0.482  1.0
  Li  Li6  1  0.983  0.774  0.129  1.0
  Li  Li7  1  0.992  0.412  0.107  1.0
  Li  Li8  1  0.010  0.129  0.098  1.0
  Cr  Cr9  1  0.524  0.868  0.912  1.0
  Cr  Cr10  1  0.491  0.571  0.881  1.0
  Cr  Cr11  1  0.557  0.880  0.549  1.0
  Cr  Cr12  1  0.521  0.220  0.869  1.0
  Cr  Cr13  1  0.450  0.549  0.572  1.0
  Cr  Cr14  1  0.492  0.264  0.547  1.0
  Cr  Cr15  1  0.475  0.912  0.220  1.0
  Cr  Cr16  1  0.481  0.547  0.190  1.0
  Cr  Cr17  1  0.517  0.189  0.264  1.0
  B  B18  1  0.999  0.666  0.991  1.0
  B  B19  1  0.999  0.667  0.667  1.0
  B  B20  1  0.988  0.343  0.667  1.0
  B  B21  1  0.014  0.991  0.343  1.0
  B  B22  1  0.530  0.015  0.669  1.0
  B  B23  1  0.467  0.669  0.316  1.0
  B  B24  1  0.996  0.333  0.334  1.0
  B  B25  1  0.007  1.000  0.000  1.0
  B  B26  1  0.504  0.315  0.016  1.0
  O  O27  1  0.015  0.914  0.980  1.0
  O  O28  1  0.983  0.576  0.977  1.0
  O  O29  1  0.036  0.770  0.903  1.0
  O  O30  1  0.556  0.910  0.687  1.0
  O  O31  1  0.500  0.402  0.911  1.0
  O  O32  1  0.999  0.589  0.776  1.0
  O  O33  1  0.064  0.774  0.635  1.0
  O  O34  1  0.026  0.106  0.915  1.0
  O  O35  1  0.055  0.976  0.447  1.0
  O  O36  1  0.022  0.326  0.771  1.0
  O  O37  1  0.936  0.637  0.590  1.0
  O  O38  1  0.962  0.903  0.327  1.0
  O  O39  1  0.983  0.255  0.651  1.0
  O  O40  1  0.958  0.448  0.578  1.0
  O  O41  1  0.517  0.031  0.758  1.0
  O  O42  1  0.453  0.687  0.403  1.0
  O  O43  1  0.470  0.563  0.336  1.0
  O  O44  1  0.517  0.102  0.563  1.0
  O  O45  1  0.979  0.979  0.106  1.0
  O  O46  1  0.477  0.757  0.212  1.0
  O  O47  1  0.997  0.327  0.434  1.0
  O  O48  1  0.006  0.239  0.328  1.0
  O  O49  1  0.984  0.433  0.240  1.0
  O  O50  1  0.979  0.651  0.095  1.0
  O  O51  1  0.027  0.095  0.254  1.0
  O  O52  1  0.499  0.335  0.103  1.0
  O  O53  1  0.511  0.211  0.032  1.0
[/CIF]
.
The structure described by LiCrBO3 crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(7), and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Cr(1)O5 square pyramids, corners with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Cr(3)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(10), one O(6), and two equivalent O(5) atoms to form LiO4 tetrahedra that share corners with two equivalent Cr(4)O5 square pyramids, corners with two equivalent Li(2)O4 tetrahedra, and edges with two equivalent Cr(2)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(13), one O(8), and two equivalent O(15) atoms to form LiO4 tetrahedra that share corners with two equivalent Cr(1)O5 square pyramids, corners with two equivalent Cr(4)O5 square pyramids, corners with two equivalent Cr(6)O5 square pyramids, and corners with two equivalent Li(3)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), and two equivalent O(16) atoms to form LiO4 tetrahedra that share corners with two equivalent Cr(7)O5 square pyramids, corners with two equivalent Li(4)O4 tetrahedra, and edges with two equivalent Cr(5)O5 trigonal bipyramids. In the fifth Li site, Li(5) is bonded to one O(14), one O(21), and two equivalent O(17) atoms to form LiO4 tetrahedra that share corners with two equivalent Cr(6)O5 square pyramids, corners with two equivalent Cr(8)O5 square pyramids, corners with two equivalent Li(5)O4 tetrahedra, and corners with two equivalent Cr(5)O5 trigonal bipyramids. In the sixth Li site, Li(6) is bonded to one O(22), one O(9), and two equivalent O(18) atoms to form LiO4 tetrahedra that share corners with two equivalent Cr(6)O5 square pyramids, corners with two equivalent Cr(9)O5 square pyramids, corners with two equivalent Li(6)O4 tetrahedra, and corners with two equivalent Cr(3)O5 trigonal bipyramids. In the seventh Li site, Li(7) is bonded to one O(1), one O(24), and two equivalent O(20) atoms to form LiO4 tetrahedra that share corners with two equivalent Cr(1)O5 square pyramids, corners with two equivalent Cr(7)O5 square pyramids, corners with two equivalent Cr(8)O5 square pyramids, and corners with two equivalent Li(7)O4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(2), one O(23), and two equivalent O(26) atoms to form LiO4 tetrahedra that share corners with two equivalent Cr(8)O5 square pyramids, corners with two equivalent Cr(9)O5 square pyramids, corners with two equivalent Li(8)O4 tetrahedra, and corners with two equivalent Cr(2)O5 trigonal bipyramids. In the ninth Li site, Li(9) is bonded to one O(19), one O(25), and two equivalent O(27) atoms to form LiO4 tetrahedra that share corners with two equivalent Cr(4)O5 square pyramids, corners with two equivalent Cr(7)O5 square pyramids, corners with two equivalent Cr(9)O5 square pyramids, and corners with two equivalent Li(9)O4 tetrahedra. There are nine inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(15), two equivalent O(1), and two equivalent O(3) atoms to form distorted CrO5 square pyramids that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, and edges with two equivalent Cr(1)O5 square pyramids. In the second Cr site, Cr(2) is bonded to one O(5), two equivalent O(2), and two equivalent O(6) atoms to form distorted CrO5 trigonal bipyramids that share corners with two equivalent Li(8)O4 tetrahedra, edges with two equivalent Li(2)O4 tetrahedra, and edges with two equivalent Cr(2)O5 trigonal bipyramids. In the third Cr site, Cr(3) is bonded to one O(4), two equivalent O(7), and two equivalent O(9) atoms to form distorted CrO5 trigonal bipyramids that share corners with two equivalent Li(6)O4 tetrahedra, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Cr(3)O5 trigonal bipyramids. In the fourth Cr site, Cr(4) is bonded to one O(27), two equivalent O(10), and two equivalent O(8) atoms to form distorted CrO5 square pyramids that share corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, and edges with two equivalent Cr(4)O5 square pyramids. In the fifth Cr site, Cr(5) is bonded to one O(16), two equivalent O(11), and two equivalent O(14) atoms to form distorted CrO5 trigonal bipyramids that share corners with two equivalent Li(5)O4 tetrahedra, edges with two equivalent Li(4)O4 tetrahedra, and edges with two equivalent Cr(5)O5 trigonal bipyramids. In the sixth Cr site, Cr(6) is bonded to one O(18), two equivalent O(13), and two equivalent O(21) atoms to form CrO5 square pyramids that share corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and edges with two equivalent Cr(6)O5 square pyramids. In the seventh Cr site, Cr(7) is bonded to one O(20), two equivalent O(12), and two equivalent O(19) atoms to form distorted CrO5 square pyramids that share corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, and edges with two equivalent Cr(7)O5 square pyramids. In the eighth Cr site, Cr(8) is bonded to one O(17), two equivalent O(23), and two equivalent O(24) atoms to form CrO5 square pyramids that share corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, and edges with two equivalent Cr(8)O5 square pyramids. In the ninth Cr site, Cr(9) is bonded to one O(26), two equivalent O(22), and two equivalent O(25) atoms to form CrO5 square pyramids that share corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Li(8)O4 tetrahedra, corners with two equivalent Li(9)O4 tetrahedra, and edges with two equivalent Cr(9)O5 square pyramids. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(6), and one O(7) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(13), and one O(14) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(12), one O(25), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(15), one O(18), and one O(4) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(16), one O(17), and one O(20) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(21), one O(22), and one O(23) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(1), one O(19), and one O(8) atom. In the ninth B site, B(9) is bonded in a trigonal planar geometry to one O(26), one O(27), and one O(5) atom. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Li(7), two equivalent Cr(1), and one B(8) atom. In the second O site, O(2) is bonded to one Li(8), two equivalent Cr(2), and one B(1) atom to form distorted OLiCr2B tetrahedra that share  a cornercorner with one O(23)LiCr2B tetrahedra,  a cornercorner with one O(24)LiCr2B tetrahedra, corners with two equivalent O(26)Li2CrB tetrahedra, and corners with two equivalent O(2)LiCr2B tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Cr(1), and one B(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cr(3), and one B(5) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Cr(2), and one B(9) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Cr(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Cr(3), and one B(2) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Cr(4), and one B(8) atom. In the ninth O site, O(9) is bonded to one Li(6), two equivalent Cr(3), and one B(4) atom to form distorted OLiCr2B tetrahedra that share  a cornercorner with one O(22)LiCr2B tetrahedra,  a cornercorner with one O(25)LiCr2B tetrahedra, corners with two equivalent O(18)Li2CrB tetrahedra, and corners with two equivalent O(9)LiCr2B tetrahedra. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Cr(4), and one B(3) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(4), two equivalent Cr(5), and one B(2) atom. In the twelfth O site, O(12) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Cr(7), and one B(4) atom. In the thirteenth O site, O(13) is bonded to one Li(3), two equivalent Cr(6), and one B(3) atom to form distorted OLiCr2B tetrahedra that share  a cornercorner with one O(14)LiCr2B tetrahedra, corners with two equivalent O(15)Li2CrB tetrahedra, corners with two equivalent O(18)Li2CrB tetrahedra, corners with two equivalent O(13)LiCr2B tetrahedra, corners with two equivalent O(21)LiCr2B tetrahedra, and  an edgeedge with one O(21)LiCr2B tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(5), two equivalent Cr(5), and one B(3) atom to form distorted OLiCr2B tetrahedra that share  a cornercorner with one O(13)LiCr2B tetrahedra,  a cornercorner with one O(21)LiCr2B tetrahedra, corners with two equivalent O(17)Li2CrB tetrahedra, and corners with two equivalent O(14)LiCr2B tetrahedra. In the fifteenth O site, O(15) is bonded to two equivalent Li(3), one Cr(1), and one B(5) atom to form distorted OLi2CrB tetrahedra that share  a cornercorner with one O(18)Li2CrB tetrahedra, corners with two equivalent O(15)Li2CrB tetrahedra, and corners with two equivalent O(13)LiCr2B tetrahedra. In the sixteenth O site, O(16) is bonded in a 4-coordinate geometry to two equivalent Li(4), one Cr(5), and one B(6) atom. In the seventeenth O site, O(17) is bonded to two equivalent Li(5), one Cr(8), and one B(6) atom to form distorted OLi2CrB tetrahedra that share  a cornercorner with one O(20)Li2CrB tetrahedra, corners with two equivalent O(17)Li2CrB tetrahedra, corners with two equivalent O(14)LiCr2B tetrahedra, corners with two equivalent O(21)LiCr2B tetrahedra, corners with two equivalent O(23)LiCr2B tetrahedra, and corners with two equivalent O(24)LiCr2B tetrahedra. In the eighteenth O site, O(18) is bonded to two equivalent Li(6), one Cr(6), and one B(5) atom to form distorted OLi2CrB tetrahedra that share  a cornercorner with one O(15)Li2CrB tetrahedra, corners with two equivalent O(18)Li2CrB tetrahedra, corners with two equivalent O(13)LiCr2B tetrahedra, corners with two equivalent O(21)LiCr2B tetrahedra, corners with two equivalent O(22)LiCr2B tetrahedra, and corners with two equivalent O(9)LiCr2B tetrahedra. In the nineteenth O site, O(19) is bonded in a distorted rectangular see-saw-like geometry to one Li(9), two equivalent Cr(7), and one B(8) atom. In the twentieth O site, O(20) is bonded to two equivalent Li(7), one Cr(7), and one B(6) atom to form distorted OLi2CrB tetrahedra that share  a cornercorner with one O(17)Li2CrB tetrahedra, corners with two equivalent O(20)Li2CrB tetrahedra, and corners with two equivalent O(24)LiCr2B tetrahedra. In the twenty-first O site, O(21) is bonded to one Li(5), two equivalent Cr(6), and one B(7) atom to form distorted OLiCr2B tetrahedra that share  a cornercorner with one O(14)LiCr2B tetrahedra,  a cornercorner with one O(22)LiCr2B tetrahedra,  a cornercorner with one O(23)LiCr2B tetrahedra, corners with two equivalent O(17)Li2CrB tetrahedra, corners with two equivalent O(18)Li2CrB tetrahedra, corners with two equivalent O(13)LiCr2B tetrahedra, corners with two equivalent O(21)LiCr2B tetrahedra, and  an edgeedge with one O(13)LiCr2B tetrahedra. In the twenty-second O site, O(22) is bonded to one Li(6), two equivalent Cr(9), and one B(7) atom to form distorted OLiCr2B tetrahedra that share  a cornercorner with one O(21)LiCr2B tetrahedra,  a cornercorner with one O(23)LiCr2B tetrahedra,  a cornercorner with one O(9)LiCr2B tetrahedra, corners with two equivalent O(18)Li2CrB tetrahedra, corners with two equivalent O(26)Li2CrB tetrahedra, corners with two equivalent O(22)LiCr2B tetrahedra, corners with two equivalent O(25)LiCr2B tetrahedra, and  an edgeedge with one O(25)LiCr2B tetrahedra. In the twenty-third O site, O(23) is bonded to one Li(8), two equivalent Cr(8), and one B(7) atom to form distorted OLiCr2B tetrahedra that share  a cornercorner with one O(2)LiCr2B tetrahedra,  a cornercorner with one O(21)LiCr2B tetrahedra,  a cornercorner with one O(22)LiCr2B tetrahedra, corners with two equivalent O(17)Li2CrB tetrahedra, corners with two equivalent O(26)Li2CrB tetrahedra, corners with two equivalent O(23)LiCr2B tetrahedra, corners with two equivalent O(24)LiCr2B tetrahedra, and  an edgeedge with one O(24)LiCr2B tetrahedra. In the twenty-fourth O site, O(24) is bonded to one Li(7), two equivalent Cr(8), and one B(1) atom to form distorted OLiCr2B tetrahedra that share  a cornercorner with one O(2)LiCr2B tetrahedra, corners with two equivalent O(17)Li2CrB tetrahedra, corners with two equivalent O(20)Li2CrB tetrahedra, corners with two equivalent O(23)LiCr2B tetrahedra, corners with two equivalent O(24)LiCr2B tetrahedra, and  an edgeedge with one O(23)LiCr2B tetrahedra. In the twenty-fifth O site, O(25) is bonded to one Li(9), two equivalent Cr(9), and one B(4) atom to form distorted OLiCr2B tetrahedra that share  a cornercorner with one O(9)LiCr2B tetrahedra, corners with two equivalent O(26)Li2CrB tetrahedra, corners with two equivalent O(27)Li2CrB tetrahedra, corners with two equivalent O(22)LiCr2B tetrahedra, corners with two equivalent O(25)LiCr2B tetrahedra, and  an edgeedge with one O(22)LiCr2B tetrahedra. In the twenty-sixth O site, O(26) is bonded to two equivalent Li(8), one Cr(9), and one B(9) atom to form distorted OLi2CrB tetrahedra that share  a cornercorner with one O(27)Li2CrB tetrahedra, corners with two equivalent O(26)Li2CrB tetrahedra, corners with two equivalent O(2)LiCr2B tetrahedra, corners with two equivalent O(22)LiCr2B tetrahedra, corners with two equivalent O(23)LiCr2B tetrahedra, and corners with two equivalent O(25)LiCr2B tetrahedra. In the twenty-seventh O site, O(27) is bonded to two equivalent Li(9), one Cr(4), and one B(9) atom to form distorted OLi2CrB tetrahedra that share  a cornercorner with one O(26)Li2CrB tetrahedra, corners with two equivalent O(27)Li2CrB tetrahedra, and corners with two equivalent O(25)LiCr2B tetrahedra. is represented by the CIF card [CIF]
data_LiCrBO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.176
_cell_length_b   14.256
_cell_length_c   14.263
_cell_angle_alpha   60.040
_cell_angle_beta   89.106
_cell_angle_gamma   89.120
_symmetry_Int_Tables_number   1
_cell_volume   559.373
_cell_formula_units_Z   9
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  0.056  0.826  0.745  1.0
  Li  Li1  1  0.005  0.428  0.828  1.0
  Li  Li2  1  0.013  0.097  0.774  1.0
  Li  Li3  1  0.949  0.745  0.429  1.0
  Li  Li4  1  0.971  0.482  0.413  1.0
  Li  Li5  1  0.024  0.106  0.482  1.0
  Li  Li6  1  0.983  0.774  0.129  1.0
  Li  Li7  1  0.992  0.412  0.107  1.0
  Li  Li8  1  0.010  0.129  0.098  1.0
  Cr  Cr9  1  0.524  0.868  0.912  1.0
  Cr  Cr10  1  0.491  0.571  0.881  1.0
  Cr  Cr11  1  0.557  0.880  0.549  1.0
  Cr  Cr12  1  0.521  0.220  0.869  1.0
  Cr  Cr13  1  0.450  0.549  0.572  1.0
  Cr  Cr14  1  0.492  0.264  0.547  1.0
  Cr  Cr15  1  0.475  0.912  0.220  1.0
  Cr  Cr16  1  0.481  0.547  0.190  1.0
  Cr  Cr17  1  0.517  0.189  0.264  1.0
  B  B18  1  0.999  0.666  0.991  1.0
  B  B19  1  0.999  0.667  0.667  1.0
  B  B20  1  0.988  0.343  0.667  1.0
  B  B21  1  0.014  0.991  0.343  1.0
  B  B22  1  0.530  0.015  0.669  1.0
  B  B23  1  0.467  0.669  0.316  1.0
  B  B24  1  0.996  0.333  0.334  1.0
  B  B25  1  0.007  1.000  0.000  1.0
  B  B26  1  0.504  0.315  0.016  1.0
  O  O27  1  0.015  0.914  0.980  1.0
  O  O28  1  0.983  0.576  0.977  1.0
  O  O29  1  0.036  0.770  0.903  1.0
  O  O30  1  0.556  0.910  0.687  1.0
  O  O31  1  0.500  0.402  0.911  1.0
  O  O32  1  0.999  0.589  0.776  1.0
  O  O33  1  0.064  0.774  0.635  1.0
  O  O34  1  0.026  0.106  0.915  1.0
  O  O35  1  0.055  0.976  0.447  1.0
  O  O36  1  0.022  0.326  0.771  1.0
  O  O37  1  0.936  0.637  0.590  1.0
  O  O38  1  0.962  0.903  0.327  1.0
  O  O39  1  0.983  0.255  0.651  1.0
  O  O40  1  0.958  0.448  0.578  1.0
  O  O41  1  0.517  0.031  0.758  1.0
  O  O42  1  0.453  0.687  0.403  1.0
  O  O43  1  0.470  0.563  0.336  1.0
  O  O44  1  0.517  0.102  0.563  1.0
  O  O45  1  0.979  0.979  0.106  1.0
  O  O46  1  0.477  0.757  0.212  1.0
  O  O47  1  0.997  0.327  0.434  1.0
  O  O48  1  0.006  0.239  0.328  1.0
  O  O49  1  0.984  0.433  0.240  1.0
  O  O50  1  0.979  0.651  0.095  1.0
  O  O51  1  0.027  0.095  0.254  1.0
  O  O52  1  0.499  0.335  0.103  1.0
  O  O53  1  0.511  0.211  0.032  1.0
[/CIF]
.