The crystal structure described by NaLiGa2(SiO3)4 is Esseneite-derived structured and crystallizes in the monoclinic C2 space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form GaO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and edges with two equivalent Ga(2)O6 octahedra. In the second Ga site, Ga(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form GaO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with four equivalent Si(2)O4 tetrahedra, and edges with two equivalent Ga(1)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Ga(2)O6 octahedra, corners with two equivalent Ga(1)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-60°. In the second Si site, Si(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Ga(1)O6 octahedra, corners with two equivalent Ga(2)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-59°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ga(1), one Ga(2), and one Si(1) atom to form distorted OLiGa2Si tetrahedra that share  a cornercorner with one O(1)LiGa2Si tetrahedra, corners with two equivalent O(2)NaGa2Si tetrahedra,  an edgeedge with one O(1)LiGa2Si tetrahedra, and  an edgeedge with one O(2)NaGa2Si tetrahedra. In the second O site, O(2) is bonded to one Na(1), one Ga(1), one Ga(2), and one Si(2) atom to form distorted ONaGa2Si tetrahedra that share  a cornercorner with one O(2)NaGa2Si tetrahedra, corners with two equivalent O(1)LiGa2Si tetrahedra,  an edgeedge with one O(1)LiGa2Si tetrahedra, and  an edgeedge with one O(2)NaGa2Si tetrahedra. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1), one Si(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Na(1), one Ga(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Ga(2), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLiGa2(SiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.529
_cell_length_b   6.529
_cell_length_c   5.342
_cell_angle_alpha   75.826
_cell_angle_beta   75.826
_cell_angle_gamma   84.021
_symmetry_Int_Tables_number   1
_cell_volume   213.845
_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
  Na  Na0  1  0.706  0.294  0.000  1.0
  Li  Li1  1  0.277  0.723  0.500  1.0
  Ga  Ga2  1  0.902  0.098  0.500  1.0
  Ga  Ga3  1  0.101  0.899  0.000  1.0
  Si  Si4  1  0.798  0.617  0.495  1.0
  Si  Si5  1  0.383  0.202  0.505  1.0
  Si  Si6  1  0.203  0.385  0.002  1.0
  Si  Si7  1  0.615  0.797  0.998  1.0
  O  O8  1  0.973  0.803  0.390  1.0
  O  O9  1  0.197  0.027  0.610  1.0
  O  O10  1  0.036  0.192  0.112  1.0
  O  O11  1  0.808  0.964  0.888  1.0
  O  O12  1  0.647  0.643  0.283  1.0
  O  O13  1  0.357  0.353  0.717  1.0
  O  O14  1  0.349  0.358  0.221  1.0
  O  O15  1  0.642  0.651  0.779  1.0
  O  O16  1  0.900  0.380  0.555  1.0
  O  O17  1  0.620  0.100  0.445  1.0
  O  O18  1  0.107  0.623  0.927  1.0
  O  O19  1  0.377  0.893  0.073  1.0
[/CIF]
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The crystal structure described by NaLiGa2(SiO3)4 is Esseneite-derived structured and crystallizes in the monoclinic C2 space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms. Li(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form GaO6 octahedra that share corners with two equivalent Si(2)O4 tetrahedra, corners with four equivalent Si(1)O4 tetrahedra, and edges with two equivalent Ga(2)O6 octahedra. In the second Ga site, Ga(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(6) atoms to form GaO6 octahedra that share corners with two equivalent Si(1)O4 tetrahedra, corners with four equivalent Si(2)O4 tetrahedra, and edges with two equivalent Ga(1)O6 octahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form SiO4 tetrahedra that share  a cornercorner with one Ga(2)O6 octahedra, corners with two equivalent Ga(1)O6 octahedra, and corners with two equivalent Si(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 35-60°. In the second Si site, Si(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form SiO4 tetrahedra that share  a cornercorner with one Ga(1)O6 octahedra, corners with two equivalent Ga(2)O6 octahedra, and corners with two equivalent Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-59°. There are six inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ga(1), one Ga(2), and one Si(1) atom to form distorted OLiGa2Si tetrahedra that share  a cornercorner with one O(1)LiGa2Si tetrahedra, corners with two equivalent O(2)NaGa2Si tetrahedra,  an edgeedge with one O(1)LiGa2Si tetrahedra, and  an edgeedge with one O(2)NaGa2Si tetrahedra. In the second O site, O(2) is bonded to one Na(1), one Ga(1), one Ga(2), and one Si(2) atom to form distorted ONaGa2Si tetrahedra that share  a cornercorner with one O(2)NaGa2Si tetrahedra, corners with two equivalent O(1)LiGa2Si tetrahedra,  an edgeedge with one O(1)LiGa2Si tetrahedra, and  an edgeedge with one O(2)NaGa2Si tetrahedra. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Li(1), one Si(1), and one Si(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one Si(1), and one Si(2) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Na(1), one Ga(1), and one Si(1) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Li(1), one Ga(2), and one Si(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaLiGa2(SiO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.529
_cell_length_b   6.529
_cell_length_c   5.342
_cell_angle_alpha   75.826
_cell_angle_beta   75.826
_cell_angle_gamma   84.021
_symmetry_Int_Tables_number   1
_cell_volume   213.845
_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
  Na  Na0  1  0.706  0.294  0.000  1.0
  Li  Li1  1  0.277  0.723  0.500  1.0
  Ga  Ga2  1  0.902  0.098  0.500  1.0
  Ga  Ga3  1  0.101  0.899  0.000  1.0
  Si  Si4  1  0.798  0.617  0.495  1.0
  Si  Si5  1  0.383  0.202  0.505  1.0
  Si  Si6  1  0.203  0.385  0.002  1.0
  Si  Si7  1  0.615  0.797  0.998  1.0
  O  O8  1  0.973  0.803  0.390  1.0
  O  O9  1  0.197  0.027  0.610  1.0
  O  O10  1  0.036  0.192  0.112  1.0
  O  O11  1  0.808  0.964  0.888  1.0
  O  O12  1  0.647  0.643  0.283  1.0
  O  O13  1  0.357  0.353  0.717  1.0
  O  O14  1  0.349  0.358  0.221  1.0
  O  O15  1  0.642  0.651  0.779  1.0
  O  O16  1  0.900  0.380  0.555  1.0
  O  O17  1  0.620  0.100  0.445  1.0
  O  O18  1  0.107  0.623  0.927  1.0
  O  O19  1  0.377  0.893  0.073  1.0
[/CIF]
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