The material described by Li5Al(SiO4)2 is beta beryllia-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Li(4)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(4)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Al(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(4)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. Al(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form AlO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(4)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one Al(1), and one Si(1) atom to form distorted OLi2AlSi trigonal pyramids that share corners with four equivalent O(4)Li2AlSi tetrahedra, corners with two equivalent O(1)Li2AlSi trigonal pyramids, corners with four equivalent O(3)Li3Si trigonal pyramids, and  an edgeedge with one O(2)Li3Si tetrahedra. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(4), and one Si(1) atom to form OLi3Si tetrahedra that share corners with two equivalent O(2)Li3Si tetrahedra, corners with four equivalent O(4)Li2AlSi tetrahedra, corners with four equivalent O(3)Li3Si trigonal pyramids, and  an edgeedge with one O(1)Li2AlSi trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), and one Si(1) atom to form distorted OLi3Si trigonal pyramids that share corners with two equivalent O(4)Li2AlSi tetrahedra, corners with four equivalent O(2)Li3Si tetrahedra, corners with four equivalent O(1)Li2AlSi trigonal pyramids, and  an edgeedge with one O(3)Li3Si trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Al(1), and one Si(1) atom to form distorted OLi2AlSi tetrahedra that share corners with four equivalent O(2)Li3Si tetrahedra, corners with two equivalent O(3)Li3Si trigonal pyramids, corners with four equivalent O(1)Li2AlSi trigonal pyramids, and  an edgeedge with one O(4)Li2AlSi tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Al(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.165
_cell_length_b   5.165
_cell_length_c   6.341
_cell_angle_alpha   89.897
_cell_angle_beta   89.897
_cell_angle_gamma   90.458
_symmetry_Int_Tables_number   1
_cell_volume   169.140
_cell_formula_units_Z   1
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  0.326  0.674  0.000  1.0
  Li  Li1  1  0.694  0.306  0.500  1.0
  Li  Li2  1  0.685  0.315  0.000  1.0
  Li  Li3  1  0.179  0.200  0.240  1.0
  Li  Li4  1  0.800  0.821  0.760  1.0
  Al  Al5  1  0.323  0.677  0.500  1.0
  Si  Si6  1  0.819  0.829  0.248  1.0
  Si  Si7  1  0.171  0.181  0.752  1.0
  O  O8  1  0.139  0.767  0.277  1.0
  O  O9  1  0.802  0.143  0.252  1.0
  O  O10  1  0.857  0.198  0.748  1.0
  O  O11  1  0.233  0.861  0.723  1.0
  O  O12  1  0.708  0.695  0.036  1.0
  O  O13  1  0.665  0.706  0.462  1.0
  O  O14  1  0.294  0.335  0.538  1.0
  O  O15  1  0.305  0.292  0.964  1.0
[/CIF]
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The material described by Li5Al(SiO4)2 is beta beryllia-derived structured and crystallizes in the monoclinic C2 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Al(1)O4 tetrahedra, corners with four equivalent Li(4)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the second Li site, Li(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(3)O4 tetrahedra, corners with four equivalent Li(4)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Al(1)O4 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(4)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(1)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form distorted LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, corners with two equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Si(1)O4 tetrahedra. Al(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form AlO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(4)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Al(1)O4 tetrahedra, and  an edgeedge with one Li(4)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one Al(1), and one Si(1) atom to form distorted OLi2AlSi trigonal pyramids that share corners with four equivalent O(4)Li2AlSi tetrahedra, corners with two equivalent O(1)Li2AlSi trigonal pyramids, corners with four equivalent O(3)Li3Si trigonal pyramids, and  an edgeedge with one O(2)Li3Si tetrahedra. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(4), and one Si(1) atom to form OLi3Si tetrahedra that share corners with two equivalent O(2)Li3Si tetrahedra, corners with four equivalent O(4)Li2AlSi tetrahedra, corners with four equivalent O(3)Li3Si trigonal pyramids, and  an edgeedge with one O(1)Li2AlSi trigonal pyramid. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Li(4), and one Si(1) atom to form distorted OLi3Si trigonal pyramids that share corners with two equivalent O(4)Li2AlSi tetrahedra, corners with four equivalent O(2)Li3Si tetrahedra, corners with four equivalent O(1)Li2AlSi trigonal pyramids, and  an edgeedge with one O(3)Li3Si trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(2), one Li(4), one Al(1), and one Si(1) atom to form distorted OLi2AlSi tetrahedra that share corners with four equivalent O(2)Li3Si tetrahedra, corners with two equivalent O(3)Li3Si trigonal pyramids, corners with four equivalent O(1)Li2AlSi trigonal pyramids, and  an edgeedge with one O(4)Li2AlSi tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li5Al(SiO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.165
_cell_length_b   5.165
_cell_length_c   6.341
_cell_angle_alpha   89.897
_cell_angle_beta   89.897
_cell_angle_gamma   90.458
_symmetry_Int_Tables_number   1
_cell_volume   169.140
_cell_formula_units_Z   1
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  0.326  0.674  0.000  1.0
  Li  Li1  1  0.694  0.306  0.500  1.0
  Li  Li2  1  0.685  0.315  0.000  1.0
  Li  Li3  1  0.179  0.200  0.240  1.0
  Li  Li4  1  0.800  0.821  0.760  1.0
  Al  Al5  1  0.323  0.677  0.500  1.0
  Si  Si6  1  0.819  0.829  0.248  1.0
  Si  Si7  1  0.171  0.181  0.752  1.0
  O  O8  1  0.139  0.767  0.277  1.0
  O  O9  1  0.802  0.143  0.252  1.0
  O  O10  1  0.857  0.198  0.748  1.0
  O  O11  1  0.233  0.861  0.723  1.0
  O  O12  1  0.708  0.695  0.036  1.0
  O  O13  1  0.665  0.706  0.462  1.0
  O  O14  1  0.294  0.335  0.538  1.0
  O  O15  1  0.305  0.292  0.964  1.0
[/CIF]
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