The material described by NaSrGaF6 crystallizes in the orthorhombic P2_12_12_1 space group. Na(1) is bonded in a 6-coordinate geometry to one F(2), one F(4), one F(5), one F(6), and two equivalent F(1) atoms. Sr(1) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(4), one F(5), one F(6), and two equivalent F(3) atoms. Ga(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. There are six inequivalent F sites. In the first F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Sr(1), and one Ga(1) atom. In the second F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Sr(1), and one Ga(1) atom. In the third F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Sr(1), and one Ga(1) atom. In the fourth F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Ga(1) atom. In the fifth F site, F(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Sr(1), and one Ga(1) atom. In the sixth F site, F(5) is bonded in a trigonal planar geometry to one Na(1), one Sr(1), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSrGaF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.447
_cell_length_b   9.377
_cell_length_c   10.483
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   535.408
_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  0.044  0.646  0.083  1.0
  Na  Na1  1  0.456  0.354  0.583  1.0
  Na  Na2  1  0.956  0.146  0.417  1.0
  Na  Na3  1  0.544  0.854  0.917  1.0
  Sr  Sr4  1  0.506  0.314  0.177  1.0
  Sr  Sr5  1  0.994  0.686  0.677  1.0
  Sr  Sr6  1  0.494  0.814  0.323  1.0
  Sr  Sr7  1  0.006  0.186  0.823  1.0
  Ga  Ga8  1  0.037  0.001  0.126  1.0
  Ga  Ga9  1  0.463  0.999  0.626  1.0
  Ga  Ga10  1  0.963  0.501  0.374  1.0
  Ga  Ga11  1  0.537  0.499  0.874  1.0
  F  F12  1  0.214  0.141  0.587  1.0
  F  F13  1  0.286  0.859  0.087  1.0
  F  F14  1  0.786  0.641  0.913  1.0
  F  F15  1  0.714  0.359  0.413  1.0
  F  F16  1  0.208  0.621  0.297  1.0
  F  F17  1  0.292  0.379  0.797  1.0
  F  F18  1  0.792  0.121  0.203  1.0
  F  F19  1  0.708  0.879  0.703  1.0
  F  F20  1  0.217  0.158  0.049  1.0
  F  F21  1  0.283  0.842  0.549  1.0
  F  F22  1  0.783  0.658  0.451  1.0
  F  F23  1  0.717  0.342  0.951  1.0
  F  F24  1  0.155  0.340  0.318  1.0
  F  F25  1  0.345  0.660  0.818  1.0
  F  F26  1  0.845  0.840  0.182  1.0
  F  F27  1  0.655  0.160  0.682  1.0
  F  F28  1  0.363  0.504  0.032  1.0
  F  F29  1  0.137  0.496  0.532  1.0
  F  F30  1  0.637  0.004  0.468  1.0
  F  F31  1  0.863  0.996  0.968  1.0
  F  F32  1  0.218  0.022  0.283  1.0
  F  F33  1  0.282  0.978  0.783  1.0
  F  F34  1  0.782  0.522  0.217  1.0
  F  F35  1  0.718  0.478  0.717  1.0
[/CIF]
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The material described by NaSrGaF6 crystallizes in the orthorhombic P2_12_12_1 space group. Na(1) is bonded in a 6-coordinate geometry to one F(2), one F(4), one F(5), one F(6), and two equivalent F(1) atoms. Sr(1) is bonded in a 7-coordinate geometry to one F(1), one F(2), one F(4), one F(5), one F(6), and two equivalent F(3) atoms. Ga(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. There are six inequivalent F sites. In the first F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Sr(1), and one Ga(1) atom. In the second F site, F(1) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Sr(1), and one Ga(1) atom. In the third F site, F(2) is bonded in a distorted trigonal non-coplanar geometry to one Na(1), one Sr(1), and one Ga(1) atom. In the fourth F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Sr(1) and one Ga(1) atom. In the fifth F site, F(4) is bonded in a distorted trigonal planar geometry to one Na(1), one Sr(1), and one Ga(1) atom. In the sixth F site, F(5) is bonded in a trigonal planar geometry to one Na(1), one Sr(1), and one Ga(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaSrGaF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.447
_cell_length_b   9.377
_cell_length_c   10.483
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   535.408
_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  0.044  0.646  0.083  1.0
  Na  Na1  1  0.456  0.354  0.583  1.0
  Na  Na2  1  0.956  0.146  0.417  1.0
  Na  Na3  1  0.544  0.854  0.917  1.0
  Sr  Sr4  1  0.506  0.314  0.177  1.0
  Sr  Sr5  1  0.994  0.686  0.677  1.0
  Sr  Sr6  1  0.494  0.814  0.323  1.0
  Sr  Sr7  1  0.006  0.186  0.823  1.0
  Ga  Ga8  1  0.037  0.001  0.126  1.0
  Ga  Ga9  1  0.463  0.999  0.626  1.0
  Ga  Ga10  1  0.963  0.501  0.374  1.0
  Ga  Ga11  1  0.537  0.499  0.874  1.0
  F  F12  1  0.214  0.141  0.587  1.0
  F  F13  1  0.286  0.859  0.087  1.0
  F  F14  1  0.786  0.641  0.913  1.0
  F  F15  1  0.714  0.359  0.413  1.0
  F  F16  1  0.208  0.621  0.297  1.0
  F  F17  1  0.292  0.379  0.797  1.0
  F  F18  1  0.792  0.121  0.203  1.0
  F  F19  1  0.708  0.879  0.703  1.0
  F  F20  1  0.217  0.158  0.049  1.0
  F  F21  1  0.283  0.842  0.549  1.0
  F  F22  1  0.783  0.658  0.451  1.0
  F  F23  1  0.717  0.342  0.951  1.0
  F  F24  1  0.155  0.340  0.318  1.0
  F  F25  1  0.345  0.660  0.818  1.0
  F  F26  1  0.845  0.840  0.182  1.0
  F  F27  1  0.655  0.160  0.682  1.0
  F  F28  1  0.363  0.504  0.032  1.0
  F  F29  1  0.137  0.496  0.532  1.0
  F  F30  1  0.637  0.004  0.468  1.0
  F  F31  1  0.863  0.996  0.968  1.0
  F  F32  1  0.218  0.022  0.283  1.0
  F  F33  1  0.282  0.978  0.783  1.0
  F  F34  1  0.782  0.522  0.217  1.0
  F  F35  1  0.718  0.478  0.717  1.0
[/CIF]
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