The structure described by NaY(CO3)F2 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), and four equivalent F(1) atoms. Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), and four equivalent F(1) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Na(1), one Y(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Y(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one C(1) atom. F(1) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1) and two equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_NaYCO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.372
_cell_length_b   7.083
_cell_length_c   9.301
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   419.815
_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  0.171  0.250  0.218  1.0
  Na  Na1  1  0.671  0.250  0.282  1.0
  Na  Na2  1  0.829  0.750  0.782  1.0
  Na  Na3  1  0.329  0.750  0.718  1.0
  Y  Y4  1  0.513  0.250  0.922  1.0
  Y  Y5  1  0.987  0.750  0.422  1.0
  Y  Y6  1  0.487  0.750  0.078  1.0
  Y  Y7  1  0.013  0.250  0.578  1.0
  C  C8  1  0.540  0.750  0.440  1.0
  C  C9  1  0.460  0.250  0.560  1.0
  C  C10  1  0.960  0.250  0.940  1.0
  C  C11  1  0.040  0.750  0.060  1.0
  O  O12  1  0.841  0.750  0.044  1.0
  O  O13  1  0.836  0.250  0.051  1.0
  O  O14  1  0.131  0.750  0.186  1.0
  O  O15  1  0.869  0.250  0.814  1.0
  O  O16  1  0.336  0.250  0.449  1.0
  O  O17  1  0.159  0.250  0.956  1.0
  O  O18  1  0.664  0.750  0.551  1.0
  O  O19  1  0.659  0.250  0.544  1.0
  O  O20  1  0.369  0.250  0.686  1.0
  O  O21  1  0.341  0.750  0.456  1.0
  O  O22  1  0.631  0.750  0.314  1.0
  O  O23  1  0.164  0.750  0.949  1.0
  F  F24  1  0.042  0.940  0.630  1.0
  F  F25  1  0.542  0.940  0.870  1.0
  F  F26  1  0.458  0.060  0.130  1.0
  F  F27  1  0.958  0.060  0.370  1.0
  F  F28  1  0.042  0.560  0.630  1.0
  F  F29  1  0.958  0.440  0.370  1.0
  F  F30  1  0.458  0.440  0.130  1.0
  F  F31  1  0.542  0.560  0.870  1.0
[/CIF]
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The structure described by NaY(CO3)F2 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), and four equivalent F(1) atoms. Y(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), and four equivalent F(1) atoms. C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(3) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Na(1), one Y(1), and one C(1) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na(1), one Y(1), and one C(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one C(1) atom. F(1) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1) and two equivalent Y(1) atoms. is represented by the CIF card [CIF]
data_NaYCO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.372
_cell_length_b   7.083
_cell_length_c   9.301
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   419.815
_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  0.171  0.250  0.218  1.0
  Na  Na1  1  0.671  0.250  0.282  1.0
  Na  Na2  1  0.829  0.750  0.782  1.0
  Na  Na3  1  0.329  0.750  0.718  1.0
  Y  Y4  1  0.513  0.250  0.922  1.0
  Y  Y5  1  0.987  0.750  0.422  1.0
  Y  Y6  1  0.487  0.750  0.078  1.0
  Y  Y7  1  0.013  0.250  0.578  1.0
  C  C8  1  0.540  0.750  0.440  1.0
  C  C9  1  0.460  0.250  0.560  1.0
  C  C10  1  0.960  0.250  0.940  1.0
  C  C11  1  0.040  0.750  0.060  1.0
  O  O12  1  0.841  0.750  0.044  1.0
  O  O13  1  0.836  0.250  0.051  1.0
  O  O14  1  0.131  0.750  0.186  1.0
  O  O15  1  0.869  0.250  0.814  1.0
  O  O16  1  0.336  0.250  0.449  1.0
  O  O17  1  0.159  0.250  0.956  1.0
  O  O18  1  0.664  0.750  0.551  1.0
  O  O19  1  0.659  0.250  0.544  1.0
  O  O20  1  0.369  0.250  0.686  1.0
  O  O21  1  0.341  0.750  0.456  1.0
  O  O22  1  0.631  0.750  0.314  1.0
  O  O23  1  0.164  0.750  0.949  1.0
  F  F24  1  0.042  0.940  0.630  1.0
  F  F25  1  0.542  0.940  0.870  1.0
  F  F26  1  0.458  0.060  0.130  1.0
  F  F27  1  0.958  0.060  0.370  1.0
  F  F28  1  0.042  0.560  0.630  1.0
  F  F29  1  0.958  0.440  0.370  1.0
  F  F30  1  0.458  0.440  0.130  1.0
  F  F31  1  0.542  0.560  0.870  1.0
[/CIF]
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