The structure described by NaYb(CO3)F2 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(1), and four equivalent F(1) atoms. Yb(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 1-coordinate geometry to two equivalent Na(1), one Yb(1), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Yb(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Yb(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 Yb(1) atoms. is represented by the CIF file [CIF]
data_NaYbCO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.715
_cell_length_b   6.825
_cell_length_c   9.422
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   431.864
_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  0.186  0.250  0.229  1.0
  Na  Na1  1  0.686  0.250  0.271  1.0
  Na  Na2  1  0.814  0.750  0.771  1.0
  Na  Na3  1  0.314  0.750  0.729  1.0
  Yb  Yb4  1  0.506  0.750  0.061  1.0
  Yb  Yb5  1  0.006  0.750  0.439  1.0
  Yb  Yb6  1  0.994  0.250  0.561  1.0
  Yb  Yb7  1  0.494  0.250  0.939  1.0
  C  C8  1  0.544  0.750  0.437  1.0
  C  C9  1  0.956  0.250  0.937  1.0
  C  C10  1  0.044  0.750  0.063  1.0
  C  C11  1  0.456  0.250  0.563  1.0
  O  O12  1  0.159  0.750  0.955  1.0
  O  O13  1  0.145  0.250  0.953  1.0
  O  O14  1  0.645  0.250  0.547  1.0
  O  O15  1  0.355  0.750  0.453  1.0
  O  O16  1  0.341  0.250  0.455  1.0
  O  O17  1  0.379  0.250  0.687  1.0
  O  O18  1  0.855  0.750  0.047  1.0
  O  O19  1  0.879  0.250  0.813  1.0
  O  O20  1  0.121  0.750  0.187  1.0
  O  O21  1  0.841  0.250  0.045  1.0
  O  O22  1  0.659  0.750  0.545  1.0
  O  O23  1  0.621  0.750  0.313  1.0
  F  F24  1  0.047  0.943  0.634  1.0
  F  F25  1  0.547  0.557  0.866  1.0
  F  F26  1  0.047  0.557  0.634  1.0
  F  F27  1  0.453  0.443  0.134  1.0
  F  F28  1  0.547  0.943  0.866  1.0
  F  F29  1  0.953  0.443  0.366  1.0
  F  F30  1  0.453  0.057  0.134  1.0
  F  F31  1  0.953  0.057  0.366  1.0
[/CIF]
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The structure described by NaYb(CO3)F2 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 7-coordinate geometry to one O(2), two equivalent O(1), and four equivalent F(1) atoms. Yb(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 1-coordinate geometry to two equivalent Na(1), one Yb(1), and one C(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one Yb(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Yb(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 Yb(1) atoms. is represented by the CIF file [CIF]
data_NaYbCO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.715
_cell_length_b   6.825
_cell_length_c   9.422
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   431.864
_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  0.186  0.250  0.229  1.0
  Na  Na1  1  0.686  0.250  0.271  1.0
  Na  Na2  1  0.814  0.750  0.771  1.0
  Na  Na3  1  0.314  0.750  0.729  1.0
  Yb  Yb4  1  0.506  0.750  0.061  1.0
  Yb  Yb5  1  0.006  0.750  0.439  1.0
  Yb  Yb6  1  0.994  0.250  0.561  1.0
  Yb  Yb7  1  0.494  0.250  0.939  1.0
  C  C8  1  0.544  0.750  0.437  1.0
  C  C9  1  0.956  0.250  0.937  1.0
  C  C10  1  0.044  0.750  0.063  1.0
  C  C11  1  0.456  0.250  0.563  1.0
  O  O12  1  0.159  0.750  0.955  1.0
  O  O13  1  0.145  0.250  0.953  1.0
  O  O14  1  0.645  0.250  0.547  1.0
  O  O15  1  0.355  0.750  0.453  1.0
  O  O16  1  0.341  0.250  0.455  1.0
  O  O17  1  0.379  0.250  0.687  1.0
  O  O18  1  0.855  0.750  0.047  1.0
  O  O19  1  0.879  0.250  0.813  1.0
  O  O20  1  0.121  0.750  0.187  1.0
  O  O21  1  0.841  0.250  0.045  1.0
  O  O22  1  0.659  0.750  0.545  1.0
  O  O23  1  0.621  0.750  0.313  1.0
  F  F24  1  0.047  0.943  0.634  1.0
  F  F25  1  0.547  0.557  0.866  1.0
  F  F26  1  0.047  0.557  0.634  1.0
  F  F27  1  0.453  0.443  0.134  1.0
  F  F28  1  0.547  0.943  0.866  1.0
  F  F29  1  0.953  0.443  0.366  1.0
  F  F30  1  0.453  0.057  0.134  1.0
  F  F31  1  0.953  0.057  0.366  1.0
[/CIF]
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