The crystal structure described by NaMgTi3O7F crystallizes in the orthorhombic Pmc2_1 space group. Na(1) is bonded in a 4-coordinate geometry to one O(4), one O(7), and two equivalent O(1) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(7), and two equivalent F(1) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), two equivalent O(4), and one F(1) atom to form distorted TiO4F trigonal bipyramids that share corners with two equivalent Ti(1)O4F trigonal bipyramids and corners with two equivalent Ti(2)O5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), and two equivalent O(6) atoms to form distorted TiO5 trigonal bipyramids that share corners with two equivalent Ti(1)O4F trigonal bipyramids and corners with two equivalent Ti(2)O5 trigonal bipyramids. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one O(5), one O(6), one O(7), and two equivalent O(2) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), one Ti(1), and one Ti(2) atom to form corner-sharing ONa2Ti2 tetrahedra. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(3) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Mg(1), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mg(1) and one Ti(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(3) and two equivalent Ti(2) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Na(1), one Mg(1), and one Ti(3) atom. F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one Ti(1) atom. is represented by the CIF card [CIF]
data_NaMgTi3O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.750
_cell_length_b   10.813
_cell_length_c   8.905
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   361.125
_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
  Na  Na0  1  0.750  0.366  0.322  1.0
  Na  Na1  1  0.750  0.866  0.178  1.0
  Mg  Mg2  1  0.750  0.171  0.566  1.0
  Mg  Mg3  1  0.750  0.671  0.934  1.0
  Ti  Ti4  1  0.250  0.098  0.283  1.0
  Ti  Ti5  1  0.250  0.823  0.486  1.0
  Ti  Ti6  1  0.250  0.323  0.014  1.0
  Ti  Ti7  1  0.250  0.598  0.217  1.0
  Ti  Ti8  1  0.750  0.413  0.754  1.0
  Ti  Ti9  1  0.750  0.913  0.746  1.0
  O  O10  1  0.250  0.930  0.299  1.0
  O  O11  1  0.250  0.860  0.693  1.0
  O  O12  1  0.250  0.666  0.406  1.0
  O  O13  1  0.250  0.166  0.094  1.0
  O  O14  1  0.250  0.360  0.807  1.0
  O  O15  1  0.250  0.430  0.201  1.0
  O  O16  1  0.750  0.136  0.321  1.0
  O  O17  1  0.750  0.074  0.748  1.0
  O  O18  1  0.750  0.366  0.994  1.0
  O  O19  1  0.750  0.350  0.569  1.0
  O  O20  1  0.750  0.636  0.179  1.0
  O  O21  1  0.750  0.574  0.752  1.0
  O  O22  1  0.750  0.866  0.506  1.0
  O  O23  1  0.750  0.850  0.931  1.0
  F  F24  1  0.250  0.645  0.994  1.0
  F  F25  1  0.250  0.145  0.506  1.0
[/CIF]
.
The crystal structure described by NaMgTi3O7F crystallizes in the orthorhombic Pmc2_1 space group. Na(1) is bonded in a 4-coordinate geometry to one O(4), one O(7), and two equivalent O(1) atoms. Mg(1) is bonded in a 5-coordinate geometry to one O(4), one O(5), one O(7), and two equivalent F(1) atoms. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), two equivalent O(4), and one F(1) atom to form distorted TiO4F trigonal bipyramids that share corners with two equivalent Ti(1)O4F trigonal bipyramids and corners with two equivalent Ti(2)O5 trigonal bipyramids. In the second Ti site, Ti(2) is bonded to one O(1), one O(2), one O(3), and two equivalent O(6) atoms to form distorted TiO5 trigonal bipyramids that share corners with two equivalent Ti(1)O4F trigonal bipyramids and corners with two equivalent Ti(2)O5 trigonal bipyramids. In the third Ti site, Ti(3) is bonded in a 5-coordinate geometry to one O(5), one O(6), one O(7), and two equivalent O(2) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Na(1), one Ti(1), and one Ti(2) atom to form corner-sharing ONa2Ti2 tetrahedra. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Ti(2) and two equivalent Ti(3) atoms. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Ti(1) and one Ti(2) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Na(1), one Mg(1), and two equivalent Ti(1) atoms. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mg(1) and one Ti(3) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ti(3) and two equivalent Ti(2) atoms. In the seventh O site, O(7) is bonded in a distorted T-shaped geometry to one Na(1), one Mg(1), and one Ti(3) atom. F(1) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mg(1) and one Ti(1) atom. is represented by the CIF card [CIF]
data_NaMgTi3O7F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.750
_cell_length_b   10.813
_cell_length_c   8.905
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   361.125
_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
  Na  Na0  1  0.750  0.366  0.322  1.0
  Na  Na1  1  0.750  0.866  0.178  1.0
  Mg  Mg2  1  0.750  0.171  0.566  1.0
  Mg  Mg3  1  0.750  0.671  0.934  1.0
  Ti  Ti4  1  0.250  0.098  0.283  1.0
  Ti  Ti5  1  0.250  0.823  0.486  1.0
  Ti  Ti6  1  0.250  0.323  0.014  1.0
  Ti  Ti7  1  0.250  0.598  0.217  1.0
  Ti  Ti8  1  0.750  0.413  0.754  1.0
  Ti  Ti9  1  0.750  0.913  0.746  1.0
  O  O10  1  0.250  0.930  0.299  1.0
  O  O11  1  0.250  0.860  0.693  1.0
  O  O12  1  0.250  0.666  0.406  1.0
  O  O13  1  0.250  0.166  0.094  1.0
  O  O14  1  0.250  0.360  0.807  1.0
  O  O15  1  0.250  0.430  0.201  1.0
  O  O16  1  0.750  0.136  0.321  1.0
  O  O17  1  0.750  0.074  0.748  1.0
  O  O18  1  0.750  0.366  0.994  1.0
  O  O19  1  0.750  0.350  0.569  1.0
  O  O20  1  0.750  0.636  0.179  1.0
  O  O21  1  0.750  0.574  0.752  1.0
  O  O22  1  0.750  0.866  0.506  1.0
  O  O23  1  0.750  0.850  0.931  1.0
  F  F24  1  0.250  0.645  0.994  1.0
  F  F25  1  0.250  0.145  0.506  1.0
[/CIF]
.