The material described by Li3BeCPO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Be(1)O5 trigonal bipyramids and  an edgeedge with one P(1)O4 tetrahedra. 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(4), and one O(6) atom. Be(1) is bonded to one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted BeO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Be(1)O5 trigonal bipyramids and  an edgeedge with one Li(1)O4 tetrahedra. 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 C(1) atom to form distorted OLi3C tetrahedra that share  a cornercorner with one O(3)Li2BeC tetrahedra, corners with four equivalent O(2)Li3C tetrahedra, and  an edgeedge with one O(3)Li2BeC tetrahedra. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and one C(1) atom to form distorted OLi3C tetrahedra that share corners with three equivalent O(3)Li2BeC tetrahedra and corners with four equivalent O(1)Li3C tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(2), one Be(1), and one C(1) atom to form a mixture of distorted edge and corner-sharing OLi2BeC tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Be(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Be(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Be(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3BePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.153
_cell_length_b   4.695
_cell_length_c   8.129
_cell_angle_alpha   87.263
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.577
_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  0.750  0.250  0.877  1.0
  Li  Li1  1  0.021  0.775  0.762  1.0
  Li  Li2  1  0.479  0.775  0.762  1.0
  Li  Li3  1  0.521  0.225  0.238  1.0
  Li  Li4  1  0.979  0.225  0.238  1.0
  Li  Li5  1  0.250  0.750  0.123  1.0
  Be  Be6  1  0.250  0.223  0.636  1.0
  Be  Be7  1  0.750  0.777  0.364  1.0
  P  P8  1  0.750  0.268  0.573  1.0
  P  P9  1  0.250  0.732  0.427  1.0
  C  C10  1  0.250  0.248  0.946  1.0
  C  C11  1  0.750  0.752  0.054  1.0
  O  O12  1  0.250  0.976  0.929  1.0
  O  O13  1  0.750  0.653  0.908  1.0
  O  O14  1  0.250  0.419  0.817  1.0
  O  O15  1  0.945  0.183  0.681  1.0
  O  O16  1  0.555  0.183  0.681  1.0
  O  O17  1  0.750  0.592  0.536  1.0
  O  O18  1  0.250  0.873  0.594  1.0
  O  O19  1  0.750  0.127  0.406  1.0
  O  O20  1  0.250  0.408  0.464  1.0
  O  O21  1  0.445  0.817  0.319  1.0
  O  O22  1  0.055  0.817  0.319  1.0
  O  O23  1  0.750  0.581  0.183  1.0
  O  O24  1  0.250  0.347  0.092  1.0
  O  O25  1  0.750  0.024  0.071  1.0
[/CIF]
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The material described by Li3BeCPO7 crystallizes in the monoclinic P2_1/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Be(1)O5 trigonal bipyramids and  an edgeedge with one P(1)O4 tetrahedra. 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(4), and one O(6) atom. Be(1) is bonded to one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted BeO5 trigonal bipyramids that share corners with two equivalent Li(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. P(1) is bonded to one O(5), one O(6), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Be(1)O5 trigonal bipyramids and  an edgeedge with one Li(1)O4 tetrahedra. 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 C(1) atom to form distorted OLi3C tetrahedra that share  a cornercorner with one O(3)Li2BeC tetrahedra, corners with four equivalent O(2)Li3C tetrahedra, and  an edgeedge with one O(3)Li2BeC tetrahedra. In the second O site, O(2) is bonded to one Li(1), two equivalent Li(2), and one C(1) atom to form distorted OLi3C tetrahedra that share corners with three equivalent O(3)Li2BeC tetrahedra and corners with four equivalent O(1)Li3C tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(2), one Be(1), and one C(1) atom to form a mixture of distorted edge and corner-sharing OLi2BeC tetrahedra. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(2), one Be(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Be(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2), one Be(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li3BePCO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.153
_cell_length_b   4.695
_cell_length_c   8.129
_cell_angle_alpha   87.263
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.577
_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  0.750  0.250  0.877  1.0
  Li  Li1  1  0.021  0.775  0.762  1.0
  Li  Li2  1  0.479  0.775  0.762  1.0
  Li  Li3  1  0.521  0.225  0.238  1.0
  Li  Li4  1  0.979  0.225  0.238  1.0
  Li  Li5  1  0.250  0.750  0.123  1.0
  Be  Be6  1  0.250  0.223  0.636  1.0
  Be  Be7  1  0.750  0.777  0.364  1.0
  P  P8  1  0.750  0.268  0.573  1.0
  P  P9  1  0.250  0.732  0.427  1.0
  C  C10  1  0.250  0.248  0.946  1.0
  C  C11  1  0.750  0.752  0.054  1.0
  O  O12  1  0.250  0.976  0.929  1.0
  O  O13  1  0.750  0.653  0.908  1.0
  O  O14  1  0.250  0.419  0.817  1.0
  O  O15  1  0.945  0.183  0.681  1.0
  O  O16  1  0.555  0.183  0.681  1.0
  O  O17  1  0.750  0.592  0.536  1.0
  O  O18  1  0.250  0.873  0.594  1.0
  O  O19  1  0.750  0.127  0.406  1.0
  O  O20  1  0.250  0.408  0.464  1.0
  O  O21  1  0.445  0.817  0.319  1.0
  O  O22  1  0.055  0.817  0.319  1.0
  O  O23  1  0.750  0.581  0.183  1.0
  O  O24  1  0.250  0.347  0.092  1.0
  O  O25  1  0.750  0.024  0.071  1.0
[/CIF]
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