The compound described by KGd(CO3)F2 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(10), one O(4), one O(5), one O(8), one F(1), one F(2), one F(3), and one F(5) atom. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(12), one O(3), one O(7), one O(9), one F(1), one F(2), one F(3), and one F(5) atom. In the third K site, K(3) is bonded in a 8-coordinate geometry to one O(12), one O(3), one O(7), one O(9), one F(4), one F(6), one F(7), and one F(8) atom. In the fourth K site, K(4) is bonded in a 8-coordinate geometry to one O(10), one O(4), one O(5), one O(8), one F(4), one F(6), one F(7), and one F(8) atom. There are four inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(5), one O(6), one F(1), one F(2), one F(3), and one F(5) atom. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one O(11), one O(2), one O(3), one O(4), one F(4), one F(6), one F(7), and one F(8) atom. In the third Gd site, Gd(3) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(6), one O(9), one F(1), one F(2), one F(3), and one F(5) atom. In the fourth Gd site, Gd(4) is bonded in a 8-coordinate geometry to one O(11), one O(2), one O(7), one O(8), one F(4), one F(6), one F(7), and one F(8) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Gd(1), one Gd(3), and one C(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Gd(2), one Gd(4), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(2), one K(3), one Gd(2), and one C(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), one K(4), one Gd(2), and one C(4) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one K(1), one K(4), one Gd(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Gd(1), one Gd(3), and one C(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(2), one K(3), one Gd(4), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), one K(4), one Gd(4), and one C(4) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one K(2), one K(3), one Gd(3), and one C(1) atom. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to one K(1), one K(4), one Gd(3), and one C(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Gd(2), one Gd(4), and one C(2) atom. In the twelfth O site, O(12) is bonded in a 1-coordinate geometry to one K(2), one K(3), one Gd(1), and one C(1) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Gd(1), and one Gd(3) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Gd(1), and one Gd(3) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Gd(1), and one Gd(3) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one K(3), one K(4), one Gd(2), and one Gd(4) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Gd(1), and one Gd(3) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one K(3), one K(4), one Gd(2), and one Gd(4) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one K(3), one K(4), one Gd(2), and one Gd(4) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one K(3), one K(4), one Gd(2), and one Gd(4) atom. is represented by the CIF file [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  0.950  0.963  0.792  1.0
  K  K1  1  0.795  0.787  0.952  1.0
  K  K2  1  0.200  0.212  0.045  1.0
  K  K3  1  0.035  0.051  0.212  1.0
  Gd  Gd4  1  0.553  0.200  0.559  1.0
  Gd  Gd5  1  0.803  0.450  0.809  1.0
  Gd  Gd6  1  0.187  0.560  0.199  1.0
  Gd  Gd7  1  0.441  0.805  0.440  1.0
  C  C8  1  0.754  0.741  0.504  1.0
  C  C9  1  0.503  0.499  0.746  1.0
  C  C10  1  0.249  0.254  0.494  1.0
  C  C11  1  0.498  0.495  0.260  1.0
  O  O12  1  0.312  0.314  0.430  1.0
  O  O13  1  0.687  0.689  0.555  1.0
  O  O14  1  0.066  0.380  0.679  1.0
  O  O15  1  0.680  0.374  0.064  1.0
  O  O16  1  0.629  0.316  0.612  1.0
  O  O17  1  0.430  0.443  0.320  1.0
  O  O18  1  0.380  0.071  0.372  1.0
  O  O19  1  0.374  0.676  0.383  1.0
  O  O20  1  0.931  0.617  0.317  1.0
  O  O21  1  0.307  0.639  0.942  1.0
  O  O22  1  0.565  0.563  0.691  1.0
  O  O23  1  0.611  0.944  0.632  1.0
  F  F24  1  0.185  0.529  0.857  1.0
  F  F25  1  0.523  0.193  0.941  1.0
  F  F26  1  0.848  0.931  0.187  1.0
  F  F27  1  0.807  0.478  0.154  1.0
  F  F28  1  0.928  0.858  0.526  1.0
  F  F29  1  0.074  0.147  0.469  1.0
  F  F30  1  0.473  0.805  0.073  1.0
  F  F31  1  0.144  0.075  0.817  1.0
[/CIF]
.
The compound described by KGd(CO3)F2 crystallizes in the triclinic P1 space group. There are four inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(10), one O(4), one O(5), one O(8), one F(1), one F(2), one F(3), and one F(5) atom. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(12), one O(3), one O(7), one O(9), one F(1), one F(2), one F(3), and one F(5) atom. In the third K site, K(3) is bonded in a 8-coordinate geometry to one O(12), one O(3), one O(7), one O(9), one F(4), one F(6), one F(7), and one F(8) atom. In the fourth K site, K(4) is bonded in a 8-coordinate geometry to one O(10), one O(4), one O(5), one O(8), one F(4), one F(6), one F(7), and one F(8) atom. There are four inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 8-coordinate geometry to one O(1), one O(12), one O(5), one O(6), one F(1), one F(2), one F(3), and one F(5) atom. In the second Gd site, Gd(2) is bonded in a 8-coordinate geometry to one O(11), one O(2), one O(3), one O(4), one F(4), one F(6), one F(7), and one F(8) atom. In the third Gd site, Gd(3) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(6), one O(9), one F(1), one F(2), one F(3), and one F(5) atom. In the fourth Gd site, Gd(4) is bonded in a 8-coordinate geometry to one O(11), one O(2), one O(7), one O(8), one F(4), one F(6), one F(7), and one F(8) atom. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(12), one O(2), and one O(9) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(10), one O(11), and one O(5) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one O(1), one O(3), and one O(7) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one O(4), one O(6), and one O(8) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Gd(1), one Gd(3), and one C(3) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Gd(2), one Gd(4), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(2), one K(3), one Gd(2), and one C(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), one K(4), one Gd(2), and one C(4) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one K(1), one K(4), one Gd(1), and one C(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Gd(1), one Gd(3), and one C(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one K(2), one K(3), one Gd(4), and one C(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one K(1), one K(4), one Gd(4), and one C(4) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one K(2), one K(3), one Gd(3), and one C(1) atom. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to one K(1), one K(4), one Gd(3), and one C(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Gd(2), one Gd(4), and one C(2) atom. In the twelfth O site, O(12) is bonded in a 1-coordinate geometry to one K(2), one K(3), one Gd(1), and one C(1) atom. There are eight inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Gd(1), and one Gd(3) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Gd(1), and one Gd(3) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Gd(1), and one Gd(3) atom. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to one K(3), one K(4), one Gd(2), and one Gd(4) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Gd(1), and one Gd(3) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one K(3), one K(4), one Gd(2), and one Gd(4) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one K(3), one K(4), one Gd(2), and one Gd(4) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one K(3), one K(4), one Gd(2), and one Gd(4) atom. is represented by the CIF file [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  0.950  0.963  0.792  1.0
  K  K1  1  0.795  0.787  0.952  1.0
  K  K2  1  0.200  0.212  0.045  1.0
  K  K3  1  0.035  0.051  0.212  1.0
  Gd  Gd4  1  0.553  0.200  0.559  1.0
  Gd  Gd5  1  0.803  0.450  0.809  1.0
  Gd  Gd6  1  0.187  0.560  0.199  1.0
  Gd  Gd7  1  0.441  0.805  0.440  1.0
  C  C8  1  0.754  0.741  0.504  1.0
  C  C9  1  0.503  0.499  0.746  1.0
  C  C10  1  0.249  0.254  0.494  1.0
  C  C11  1  0.498  0.495  0.260  1.0
  O  O12  1  0.312  0.314  0.430  1.0
  O  O13  1  0.687  0.689  0.555  1.0
  O  O14  1  0.066  0.380  0.679  1.0
  O  O15  1  0.680  0.374  0.064  1.0
  O  O16  1  0.629  0.316  0.612  1.0
  O  O17  1  0.430  0.443  0.320  1.0
  O  O18  1  0.380  0.071  0.372  1.0
  O  O19  1  0.374  0.676  0.383  1.0
  O  O20  1  0.931  0.617  0.317  1.0
  O  O21  1  0.307  0.639  0.942  1.0
  O  O22  1  0.565  0.563  0.691  1.0
  O  O23  1  0.611  0.944  0.632  1.0
  F  F24  1  0.185  0.529  0.857  1.0
  F  F25  1  0.523  0.193  0.941  1.0
  F  F26  1  0.848  0.931  0.187  1.0
  F  F27  1  0.807  0.478  0.154  1.0
  F  F28  1  0.928  0.858  0.526  1.0
  F  F29  1  0.074  0.147  0.469  1.0
  F  F30  1  0.473  0.805  0.073  1.0
  F  F31  1  0.144  0.075  0.817  1.0
[/CIF]
.