The compound described by K4Gd2C3O9F4 crystallizes in the monoclinic C2 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(4), one O(5), two equivalent O(2), one F(2), and two equivalent F(1) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms. In the third K site, K(3) is bonded in a distorted hexagonal bipyramidal geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms. Gd(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(4), one F(1), and two equivalent F(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(5) and two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), one Gd(1), and one C(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(3), two equivalent K(1), one Gd(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), one Gd(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), one K(2), two equivalent Gd(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to two equivalent K(1), two equivalent Gd(1), and one C(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded to one K(2), one K(3), two equivalent K(1), and one Gd(1) atom to form distorted corner-sharing FK4Gd trigonal bipyramids. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one K(1) and two equivalent Gd(1) atoms. is represented by the CIF card [CIF]
data_K4Gd2C3O9F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.009
_cell_length_b   7.009
_cell_length_c   7.061
_cell_angle_alpha   81.402
_cell_angle_beta   81.402
_cell_angle_gamma   81.128
_symmetry_Int_Tables_number   1
_cell_volume   336.058
_cell_formula_units_Z   1
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  0.872  0.503  0.120  1.0
  K  K1  1  0.135  0.865  0.500  1.0
  K  K2  1  0.497  0.128  0.880  1.0
  K  K3  1  0.999  0.001  0.000  1.0
  Gd  Gd4  1  0.352  0.360  0.356  1.0
  Gd  Gd5  1  0.640  0.648  0.644  1.0
  C  C6  1  0.650  0.007  0.363  1.0
  C  C7  1  0.356  0.644  0.000  1.0
  C  C8  1  0.993  0.350  0.637  1.0
  O  O9  1  0.131  0.206  0.636  1.0
  O  O10  1  0.645  0.158  0.230  1.0
  O  O11  1  0.218  0.645  0.145  1.0
  O  O12  1  0.355  0.782  0.855  1.0
  O  O13  1  0.794  0.869  0.364  1.0
  O  O14  1  0.842  0.355  0.770  1.0
  O  O15  1  0.502  0.999  0.500  1.0
  O  O16  1  0.498  0.502  0.000  1.0
  O  O17  1  0.001  0.498  0.500  1.0
  F  F18  1  0.193  0.195  0.194  1.0
  F  F19  1  0.805  0.807  0.806  1.0
  F  F20  1  0.563  0.592  0.350  1.0
  F  F21  1  0.408  0.437  0.650  1.0
[/CIF]
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The compound described by K4Gd2C3O9F4 crystallizes in the monoclinic C2 space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 9-coordinate geometry to one O(1), one O(3), one O(4), one O(5), two equivalent O(2), one F(2), and two equivalent F(1) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(3), two equivalent O(4), and two equivalent F(1) atoms. In the third K site, K(3) is bonded in a distorted hexagonal bipyramidal geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent F(1) atoms. Gd(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(5), two equivalent O(4), one F(1), and two equivalent F(2) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one O(1), one O(2), and one O(4) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one O(5) and two equivalent O(3) atoms. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), one Gd(1), and one C(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one K(3), two equivalent K(1), one Gd(1), and one C(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one K(1), one K(2), one K(3), one Gd(1), and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one K(1), one K(2), two equivalent Gd(1), and one C(1) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to two equivalent K(1), two equivalent Gd(1), and one C(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded to one K(2), one K(3), two equivalent K(1), and one Gd(1) atom to form distorted corner-sharing FK4Gd trigonal bipyramids. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one K(1) and two equivalent Gd(1) atoms. is represented by the CIF card [CIF]
data_K4Gd2C3O9F4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.009
_cell_length_b   7.009
_cell_length_c   7.061
_cell_angle_alpha   81.402
_cell_angle_beta   81.402
_cell_angle_gamma   81.128
_symmetry_Int_Tables_number   1
_cell_volume   336.058
_cell_formula_units_Z   1
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  0.872  0.503  0.120  1.0
  K  K1  1  0.135  0.865  0.500  1.0
  K  K2  1  0.497  0.128  0.880  1.0
  K  K3  1  0.999  0.001  0.000  1.0
  Gd  Gd4  1  0.352  0.360  0.356  1.0
  Gd  Gd5  1  0.640  0.648  0.644  1.0
  C  C6  1  0.650  0.007  0.363  1.0
  C  C7  1  0.356  0.644  0.000  1.0
  C  C8  1  0.993  0.350  0.637  1.0
  O  O9  1  0.131  0.206  0.636  1.0
  O  O10  1  0.645  0.158  0.230  1.0
  O  O11  1  0.218  0.645  0.145  1.0
  O  O12  1  0.355  0.782  0.855  1.0
  O  O13  1  0.794  0.869  0.364  1.0
  O  O14  1  0.842  0.355  0.770  1.0
  O  O15  1  0.502  0.999  0.500  1.0
  O  O16  1  0.498  0.502  0.000  1.0
  O  O17  1  0.001  0.498  0.500  1.0
  F  F18  1  0.193  0.195  0.194  1.0
  F  F19  1  0.805  0.807  0.806  1.0
  F  F20  1  0.563  0.592  0.350  1.0
  F  F21  1  0.408  0.437  0.650  1.0
[/CIF]
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