The material described by KGd(CO3)F2 crystallizes in the orthorhombic Fddd space group. K(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent F(1) atoms. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent F(1) atoms. C(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Gd(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1), one Gd(1), and one C(1) atom. F(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Gd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KGdCO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.409
_cell_length_b   11.592
_cell_length_c   6.675
_cell_angle_alpha   80.719
_cell_angle_beta   67.215
_cell_angle_gamma   32.066
_symmetry_Int_Tables_number   1
_cell_volume   441.785
_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
  K  K0  1  0.832  0.832  0.668  1.0
  K  K1  1  0.668  0.668  0.832  1.0
  K  K2  1  0.582  0.582  0.418  1.0
  K  K3  1  0.418  0.418  0.582  1.0
  Gd  Gd4  1  0.067  0.433  0.067  1.0
  Gd  Gd5  1  0.817  0.183  0.817  1.0
  Gd  Gd6  1  0.433  0.067  0.433  1.0
  Gd  Gd7  1  0.183  0.817  0.183  1.0
  C  C8  1  0.122  0.122  0.878  1.0
  C  C9  1  0.878  0.878  0.122  1.0
  C  C10  1  0.128  0.128  0.372  1.0
  C  C11  1  0.372  0.372  0.128  1.0
  O  O12  1  0.187  0.187  0.313  1.0
  O  O13  1  0.063  0.063  0.937  1.0
  O  O14  1  0.940  0.259  0.562  1.0
  O  O15  1  0.562  0.240  0.940  1.0
  O  O16  1  0.010  0.688  0.991  1.0
  O  O17  1  0.313  0.313  0.187  1.0
  O  O18  1  0.259  0.940  0.240  1.0
  O  O19  1  0.240  0.562  0.259  1.0
  O  O20  1  0.310  0.991  0.688  1.0
  O  O21  1  0.688  0.010  0.310  1.0
  O  O22  1  0.937  0.937  0.063  1.0
  O  O23  1  0.991  0.310  0.010  1.0
  F  F24  1  0.774  0.693  0.434  1.0
  F  F25  1  0.693  0.774  0.098  1.0
  F  F26  1  0.434  0.098  0.774  1.0
  F  F27  1  0.476  0.557  0.816  1.0
  F  F28  1  0.098  0.434  0.693  1.0
  F  F29  1  0.152  0.816  0.557  1.0
  F  F30  1  0.557  0.476  0.152  1.0
  F  F31  1  0.816  0.152  0.476  1.0
[/CIF]
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The material described by KGd(CO3)F2 crystallizes in the orthorhombic Fddd space group. K(1) is bonded in a 8-coordinate geometry to four equivalent O(2) and four equivalent F(1) atoms. Gd(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent F(1) atoms. C(1) is bonded in a trigonal planar geometry to one O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Gd(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent K(1), one Gd(1), and one C(1) atom. F(1) is bonded in a 4-coordinate geometry to two equivalent K(1) and two equivalent Gd(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KGdCO3F2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.409
_cell_length_b   11.592
_cell_length_c   6.675
_cell_angle_alpha   80.719
_cell_angle_beta   67.215
_cell_angle_gamma   32.066
_symmetry_Int_Tables_number   1
_cell_volume   441.785
_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
  K  K0  1  0.832  0.832  0.668  1.0
  K  K1  1  0.668  0.668  0.832  1.0
  K  K2  1  0.582  0.582  0.418  1.0
  K  K3  1  0.418  0.418  0.582  1.0
  Gd  Gd4  1  0.067  0.433  0.067  1.0
  Gd  Gd5  1  0.817  0.183  0.817  1.0
  Gd  Gd6  1  0.433  0.067  0.433  1.0
  Gd  Gd7  1  0.183  0.817  0.183  1.0
  C  C8  1  0.122  0.122  0.878  1.0
  C  C9  1  0.878  0.878  0.122  1.0
  C  C10  1  0.128  0.128  0.372  1.0
  C  C11  1  0.372  0.372  0.128  1.0
  O  O12  1  0.187  0.187  0.313  1.0
  O  O13  1  0.063  0.063  0.937  1.0
  O  O14  1  0.940  0.259  0.562  1.0
  O  O15  1  0.562  0.240  0.940  1.0
  O  O16  1  0.010  0.688  0.991  1.0
  O  O17  1  0.313  0.313  0.187  1.0
  O  O18  1  0.259  0.940  0.240  1.0
  O  O19  1  0.240  0.562  0.259  1.0
  O  O20  1  0.310  0.991  0.688  1.0
  O  O21  1  0.688  0.010  0.310  1.0
  O  O22  1  0.937  0.937  0.063  1.0
  O  O23  1  0.991  0.310  0.010  1.0
  F  F24  1  0.774  0.693  0.434  1.0
  F  F25  1  0.693  0.774  0.098  1.0
  F  F26  1  0.434  0.098  0.774  1.0
  F  F27  1  0.476  0.557  0.816  1.0
  F  F28  1  0.098  0.434  0.693  1.0
  F  F29  1  0.152  0.816  0.557  1.0
  F  F30  1  0.557  0.476  0.152  1.0
  F  F31  1  0.816  0.152  0.476  1.0
[/CIF]
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