The compound described by Li3CrBAsO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. Cr(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. As(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form AsO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-55°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and one B(1) atom to form OLi3B tetrahedra that share corners with three equivalent O(3)Li2CrB tetrahedra and corners with four equivalent O(6)Li2CrAs trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Li(2), one Cr(1), and one B(1) atom. In the third O site, O(3) is bonded to two equivalent Li(2), one Cr(1), and one B(1) atom to form distorted OLi2CrB tetrahedra that share corners with three equivalent O(1)Li3B tetrahedra and corners with four equivalent O(6)Li2CrAs trigonal pyramids. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cr(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Cr(1), and one As(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Cr(1), and one As(1) atom to form distorted OLi2CrAs trigonal pyramids that share corners with two equivalent O(3)Li2CrB tetrahedra, corners with two equivalent O(1)Li3B tetrahedra,  a cornercorner with one O(6)Li2CrAs trigonal pyramid, and  an edgeedge with one O(6)Li2CrAs trigonal pyramid. is represented by the CIF file [CIF]
data_Li3CrBAsO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   6.525
_cell_length_c   8.557
_cell_angle_alpha   90.015
_cell_angle_beta   95.295
_cell_angle_gamma   90.008
_symmetry_Int_Tables_number   1
_cell_volume   284.578
_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
  As  As0  1  0.727  0.250  0.578  1.0
  As  As1  1  0.273  0.750  0.422  1.0
  B  B2  1  0.703  0.750  0.963  1.0
  B  B3  1  0.297  0.250  0.037  1.0
  Cr  Cr4  1  0.789  0.750  0.688  1.0
  Cr  Cr5  1  0.211  0.250  0.312  1.0
  Li  Li6  1  0.762  0.250  0.907  1.0
  Li  Li7  1  0.238  0.750  0.093  1.0
  Li  Li8  1  0.252  0.990  0.775  1.0
  Li  Li9  1  0.252  0.509  0.774  1.0
  Li  Li10  1  0.748  0.491  0.226  1.0
  Li  Li11  1  0.748  0.010  0.225  1.0
  O  O12  1  0.360  0.250  0.887  1.0
  O  O13  1  0.640  0.750  0.113  1.0
  O  O14  1  0.959  0.750  0.914  1.0
  O  O15  1  0.041  0.250  0.086  1.0
  O  O16  1  0.510  0.750  0.834  1.0
  O  O17  1  0.490  0.250  0.166  1.0
  O  O18  1  0.393  0.250  0.533  1.0
  O  O19  1  0.607  0.750  0.467  1.0
  O  O20  1  0.140  0.750  0.598  1.0
  O  O21  1  0.860  0.250  0.402  1.0
  O  O22  1  0.825  0.055  0.706  1.0
  O  O23  1  0.825  0.445  0.706  1.0
  O  O24  1  0.175  0.555  0.294  1.0
  O  O25  1  0.175  0.945  0.294  1.0
[/CIF]
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The compound described by Li3CrBAsO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), and two equivalent O(6) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(5), and one O(6) atom. Cr(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra. B(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. As(1) is bonded to one O(4), one O(5), and two equivalent O(6) atoms to form AsO4 tetrahedra that share corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-55°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Li(2), and one B(1) atom to form OLi3B tetrahedra that share corners with three equivalent O(3)Li2CrB tetrahedra and corners with four equivalent O(6)Li2CrAs trigonal pyramids. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), two equivalent Li(2), one Cr(1), and one B(1) atom. In the third O site, O(3) is bonded to two equivalent Li(2), one Cr(1), and one B(1) atom to form distorted OLi2CrB tetrahedra that share corners with three equivalent O(1)Li3B tetrahedra and corners with four equivalent O(6)Li2CrAs trigonal pyramids. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Cr(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Cr(1), and one As(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Cr(1), and one As(1) atom to form distorted OLi2CrAs trigonal pyramids that share corners with two equivalent O(3)Li2CrB tetrahedra, corners with two equivalent O(1)Li3B tetrahedra,  a cornercorner with one O(6)Li2CrAs trigonal pyramid, and  an edgeedge with one O(6)Li2CrAs trigonal pyramid. is represented by the CIF file [CIF]
data_Li3CrBAsO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.119
_cell_length_b   6.525
_cell_length_c   8.557
_cell_angle_alpha   90.015
_cell_angle_beta   95.295
_cell_angle_gamma   90.008
_symmetry_Int_Tables_number   1
_cell_volume   284.578
_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
  As  As0  1  0.727  0.250  0.578  1.0
  As  As1  1  0.273  0.750  0.422  1.0
  B  B2  1  0.703  0.750  0.963  1.0
  B  B3  1  0.297  0.250  0.037  1.0
  Cr  Cr4  1  0.789  0.750  0.688  1.0
  Cr  Cr5  1  0.211  0.250  0.312  1.0
  Li  Li6  1  0.762  0.250  0.907  1.0
  Li  Li7  1  0.238  0.750  0.093  1.0
  Li  Li8  1  0.252  0.990  0.775  1.0
  Li  Li9  1  0.252  0.509  0.774  1.0
  Li  Li10  1  0.748  0.491  0.226  1.0
  Li  Li11  1  0.748  0.010  0.225  1.0
  O  O12  1  0.360  0.250  0.887  1.0
  O  O13  1  0.640  0.750  0.113  1.0
  O  O14  1  0.959  0.750  0.914  1.0
  O  O15  1  0.041  0.250  0.086  1.0
  O  O16  1  0.510  0.750  0.834  1.0
  O  O17  1  0.490  0.250  0.166  1.0
  O  O18  1  0.393  0.250  0.533  1.0
  O  O19  1  0.607  0.750  0.467  1.0
  O  O20  1  0.140  0.750  0.598  1.0
  O  O21  1  0.860  0.250  0.402  1.0
  O  O22  1  0.825  0.055  0.706  1.0
  O  O23  1  0.825  0.445  0.706  1.0
  O  O24  1  0.175  0.555  0.294  1.0
  O  O25  1  0.175  0.945  0.294  1.0
[/CIF]
.