The compound described by Li3MnBAsO7 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 4-coordinate geometry to one O(1), one O(3), one O(5), and one O(6) atom. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form MnO6 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. 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)Li2MnB tetrahedra and corners with four equivalent O(6)Li2MnAs trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one B(1) atom. In the third O site, O(3) is bonded to two equivalent Li(2), one Mn(1), and one B(1) atom to form distorted OLi2MnB tetrahedra that share corners with three equivalent O(1)Li3B tetrahedra and corners with four equivalent O(6)Li2MnAs trigonal pyramids. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Mn(1), and one As(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Mn(1), and one As(1) atom to form distorted OLi2MnAs trigonal pyramids that share corners with two equivalent O(3)Li2MnB tetrahedra, corners with two equivalent O(1)Li3B tetrahedra,  a cornercorner with one O(6)Li2MnAs trigonal pyramid, and  an edgeedge with one O(6)Li2MnAs trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3MnBAsO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.086
_cell_length_b   6.842
_cell_length_c   8.486
_cell_angle_alpha   90.004
_cell_angle_beta   95.524
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   293.949
_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  0.744  0.250  0.583  1.0
  As  As1  1  0.256  0.750  0.417  1.0
  B  B2  1  0.700  0.750  0.961  1.0
  B  B3  1  0.300  0.250  0.039  1.0
  Li  Li4  1  0.771  0.250  0.903  1.0
  Li  Li5  1  0.229  0.750  0.097  1.0
  Li  Li6  1  0.249  0.001  0.767  1.0
  Li  Li7  1  0.249  0.499  0.767  1.0
  Li  Li8  1  0.751  0.501  0.233  1.0
  Li  Li9  1  0.751  0.999  0.233  1.0
  Mn  Mn10  1  0.785  0.750  0.685  1.0
  Mn  Mn11  1  0.215  0.250  0.315  1.0
  O  O12  1  0.372  0.250  0.890  1.0
  O  O13  1  0.628  0.750  0.110  1.0
  O  O14  1  0.956  0.750  0.915  1.0
  O  O15  1  0.044  0.250  0.085  1.0
  O  O16  1  0.510  0.750  0.827  1.0
  O  O17  1  0.490  0.250  0.172  1.0
  O  O18  1  0.406  0.250  0.535  1.0
  O  O19  1  0.594  0.750  0.465  1.0
  O  O20  1  0.129  0.750  0.598  1.0
  O  O21  1  0.871  0.250  0.402  1.0
  O  O22  1  0.840  0.060  0.707  1.0
  O  O23  1  0.840  0.440  0.707  1.0
  O  O24  1  0.160  0.560  0.293  1.0
  O  O25  1  0.160  0.940  0.293  1.0
[/CIF]
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The compound described by Li3MnBAsO7 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 4-coordinate geometry to one O(1), one O(3), one O(5), and one O(6) atom. Mn(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form MnO6 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 Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. 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)Li2MnB tetrahedra and corners with four equivalent O(6)Li2MnAs trigonal pyramids. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one B(1) atom. In the third O site, O(3) is bonded to two equivalent Li(2), one Mn(1), and one B(1) atom to form distorted OLi2MnB tetrahedra that share corners with three equivalent O(1)Li3B tetrahedra and corners with four equivalent O(6)Li2MnAs trigonal pyramids. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one As(1) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(2), one Mn(1), and one As(1) atom. In the sixth O site, O(6) is bonded to one Li(1), one Li(2), one Mn(1), and one As(1) atom to form distorted OLi2MnAs trigonal pyramids that share corners with two equivalent O(3)Li2MnB tetrahedra, corners with two equivalent O(1)Li3B tetrahedra,  a cornercorner with one O(6)Li2MnAs trigonal pyramid, and  an edgeedge with one O(6)Li2MnAs trigonal pyramid. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3MnBAsO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.086
_cell_length_b   6.842
_cell_length_c   8.486
_cell_angle_alpha   90.004
_cell_angle_beta   95.524
_cell_angle_gamma   90.001
_symmetry_Int_Tables_number   1
_cell_volume   293.949
_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  0.744  0.250  0.583  1.0
  As  As1  1  0.256  0.750  0.417  1.0
  B  B2  1  0.700  0.750  0.961  1.0
  B  B3  1  0.300  0.250  0.039  1.0
  Li  Li4  1  0.771  0.250  0.903  1.0
  Li  Li5  1  0.229  0.750  0.097  1.0
  Li  Li6  1  0.249  0.001  0.767  1.0
  Li  Li7  1  0.249  0.499  0.767  1.0
  Li  Li8  1  0.751  0.501  0.233  1.0
  Li  Li9  1  0.751  0.999  0.233  1.0
  Mn  Mn10  1  0.785  0.750  0.685  1.0
  Mn  Mn11  1  0.215  0.250  0.315  1.0
  O  O12  1  0.372  0.250  0.890  1.0
  O  O13  1  0.628  0.750  0.110  1.0
  O  O14  1  0.956  0.750  0.915  1.0
  O  O15  1  0.044  0.250  0.085  1.0
  O  O16  1  0.510  0.750  0.827  1.0
  O  O17  1  0.490  0.250  0.172  1.0
  O  O18  1  0.406  0.250  0.535  1.0
  O  O19  1  0.594  0.750  0.465  1.0
  O  O20  1  0.129  0.750  0.598  1.0
  O  O21  1  0.871  0.250  0.402  1.0
  O  O22  1  0.840  0.060  0.707  1.0
  O  O23  1  0.840  0.440  0.707  1.0
  O  O24  1  0.160  0.560  0.293  1.0
  O  O25  1  0.160  0.940  0.293  1.0
[/CIF]
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