The material structure described by NaLiMgPO4F crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), three equivalent O(1), and two equivalent F(1) atoms. Li(1) is bonded to one O(1), one O(3), one O(4), and one F(1) atom to form LiO3F tetrahedra that share corners with four equivalent Mg(1)O4F2 octahedra and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-81°. Mg(1) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent F(1) atoms to form MgO4F2 octahedra that share corners with four equivalent Li(1)O3F tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Mg(1)O4F2 octahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Mg(1)O4F2 octahedra and corners with three equivalent Li(1)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Na(1), one Li(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one P(1) atom. In the third O site, O(3) is bonded to one Na(1), one Li(1), one Mg(1), and one P(1) atom to form distorted corner-sharing ONaLiMgP trigonal pyramids. In the fourth O site, O(4) is bonded to one Na(1), one Li(1), one Mg(1), and one P(1) atom to form distorted corner-sharing ONaLiMgP trigonal pyramids. F(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Li(1), and two equivalent Mg(1) atoms. is represented by the CIF file [CIF]
data_NaLiMgPO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.347
_cell_length_b   5.082
_cell_length_c   6.896
_cell_angle_alpha   89.979
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   397.692
_cell_formula_units_Z   4
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  0.665  0.753  0.511  1.0
  Na  Na1  1  0.165  0.747  0.489  1.0
  Na  Na2  1  0.335  0.247  0.489  1.0
  Na  Na3  1  0.835  0.253  0.511  1.0
  Li  Li4  1  0.580  0.263  0.740  1.0
  Li  Li5  1  0.080  0.237  0.260  1.0
  Li  Li6  1  0.420  0.737  0.260  1.0
  Li  Li7  1  0.920  0.763  0.740  1.0
  Mg  Mg8  1  0.329  0.263  0.018  1.0
  Mg  Mg9  1  0.829  0.237  0.982  1.0
  Mg  Mg10  1  0.671  0.737  0.982  1.0
  Mg  Mg11  1  0.171  0.763  0.018  1.0
  P  P12  1  0.418  0.771  0.754  1.0
  P  P13  1  0.918  0.729  0.246  1.0
  P  P14  1  0.582  0.229  0.246  1.0
  P  P15  1  0.082  0.271  0.754  1.0
  O  O16  1  0.376  0.740  0.542  1.0
  O  O17  1  0.876  0.760  0.458  1.0
  O  O18  1  0.624  0.260  0.458  1.0
  O  O19  1  0.124  0.240  0.542  1.0
  O  O20  1  0.328  0.631  0.891  1.0
  O  O21  1  0.828  0.869  0.109  1.0
  O  O22  1  0.672  0.369  0.109  1.0
  O  O23  1  0.172  0.131  0.891  1.0
  O  O24  1  0.426  0.071  0.805  1.0
  O  O25  1  0.926  0.429  0.195  1.0
  O  O26  1  0.574  0.929  0.195  1.0
  O  O27  1  0.074  0.571  0.805  1.0
  O  O28  1  0.541  0.642  0.783  1.0
  O  O29  1  0.041  0.858  0.217  1.0
  O  O30  1  0.459  0.358  0.217  1.0
  O  O31  1  0.959  0.142  0.783  1.0
  F  F32  1  0.213  0.464  0.199  1.0
  F  F33  1  0.713  0.036  0.801  1.0
  F  F34  1  0.787  0.536  0.801  1.0
  F  F35  1  0.287  0.964  0.199  1.0
[/CIF]
.
The material structure described by NaLiMgPO4F crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(3), one O(4), three equivalent O(1), and two equivalent F(1) atoms. Li(1) is bonded to one O(1), one O(3), one O(4), and one F(1) atom to form LiO3F tetrahedra that share corners with four equivalent Mg(1)O4F2 octahedra and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 67-81°. Mg(1) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent F(1) atoms to form MgO4F2 octahedra that share corners with four equivalent Li(1)O3F tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Mg(1)O4F2 octahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with four equivalent Mg(1)O4F2 octahedra and corners with three equivalent Li(1)O3F tetrahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Na(1), one Li(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one P(1) atom. In the third O site, O(3) is bonded to one Na(1), one Li(1), one Mg(1), and one P(1) atom to form distorted corner-sharing ONaLiMgP trigonal pyramids. In the fourth O site, O(4) is bonded to one Na(1), one Li(1), one Mg(1), and one P(1) atom to form distorted corner-sharing ONaLiMgP trigonal pyramids. F(1) is bonded in a 5-coordinate geometry to two equivalent Na(1), one Li(1), and two equivalent Mg(1) atoms. is represented by the CIF file [CIF]
data_NaLiMgPO4F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.347
_cell_length_b   5.082
_cell_length_c   6.896
_cell_angle_alpha   89.979
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   397.692
_cell_formula_units_Z   4
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  0.665  0.753  0.511  1.0
  Na  Na1  1  0.165  0.747  0.489  1.0
  Na  Na2  1  0.335  0.247  0.489  1.0
  Na  Na3  1  0.835  0.253  0.511  1.0
  Li  Li4  1  0.580  0.263  0.740  1.0
  Li  Li5  1  0.080  0.237  0.260  1.0
  Li  Li6  1  0.420  0.737  0.260  1.0
  Li  Li7  1  0.920  0.763  0.740  1.0
  Mg  Mg8  1  0.329  0.263  0.018  1.0
  Mg  Mg9  1  0.829  0.237  0.982  1.0
  Mg  Mg10  1  0.671  0.737  0.982  1.0
  Mg  Mg11  1  0.171  0.763  0.018  1.0
  P  P12  1  0.418  0.771  0.754  1.0
  P  P13  1  0.918  0.729  0.246  1.0
  P  P14  1  0.582  0.229  0.246  1.0
  P  P15  1  0.082  0.271  0.754  1.0
  O  O16  1  0.376  0.740  0.542  1.0
  O  O17  1  0.876  0.760  0.458  1.0
  O  O18  1  0.624  0.260  0.458  1.0
  O  O19  1  0.124  0.240  0.542  1.0
  O  O20  1  0.328  0.631  0.891  1.0
  O  O21  1  0.828  0.869  0.109  1.0
  O  O22  1  0.672  0.369  0.109  1.0
  O  O23  1  0.172  0.131  0.891  1.0
  O  O24  1  0.426  0.071  0.805  1.0
  O  O25  1  0.926  0.429  0.195  1.0
  O  O26  1  0.574  0.929  0.195  1.0
  O  O27  1  0.074  0.571  0.805  1.0
  O  O28  1  0.541  0.642  0.783  1.0
  O  O29  1  0.041  0.858  0.217  1.0
  O  O30  1  0.459  0.358  0.217  1.0
  O  O31  1  0.959  0.142  0.783  1.0
  F  F32  1  0.213  0.464  0.199  1.0
  F  F33  1  0.713  0.036  0.801  1.0
  F  F34  1  0.787  0.536  0.801  1.0
  F  F35  1  0.287  0.964  0.199  1.0
[/CIF]
.