The crystal structure described by K3Zr2NF12 crystallizes in the monoclinic C2/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one F(6), one F(7), two equivalent F(1), and two equivalent F(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one F(3), one F(7), two equivalent F(2), two equivalent F(4), and two equivalent F(8) atoms. In the third K site, K(3) is bonded in a 11-coordinate geometry to one N(1), one F(5), one F(7), two equivalent F(2), two equivalent F(8), and four equivalent F(1) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(5), and two equivalent F(7) atoms. In the second Zr site, Zr(2) is bonded to two equivalent F(4), two equivalent F(6), and two equivalent F(8) atoms to form distorted edge-sharing ZrF6 pentagonal pyramids. N(1) is bonded in a single-bond geometry to one K(3) and one F(3) atom. There are eight inequivalent F sites. In the first F site, F(3) is bonded in a single-bond geometry to one K(2) and one N(1) atom. In the second F site, F(4) is bonded in a bent 150 degrees geometry to one K(2) and one Zr(2) atom. In the third F site, F(5) is bonded in a trigonal non-coplanar geometry to one K(3) and two equivalent Zr(1) atoms. In the fourth F site, F(6) is bonded in a trigonal planar geometry to one K(1) and two equivalent Zr(2) atoms. In the fifth F site, F(7) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), and two equivalent Zr(1) atoms. In the sixth F site, F(8) is bonded in a distorted single-bond geometry to one K(2), one K(3), and one Zr(2) atom. In the seventh F site, F(1) is bonded in a 2-coordinate geometry to one K(1), two equivalent K(3), and one Zr(1) atom. In the eighth F site, F(2) is bonded in a 3-coordinate geometry to one K(1), one K(2), one K(3), and one Zr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Zr2NF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.654
_cell_length_b   7.654
_cell_length_c   13.074
_cell_angle_alpha   66.339
_cell_angle_beta   66.339
_cell_angle_gamma   64.798
_symmetry_Int_Tables_number   1
_cell_volume   609.759
_cell_formula_units_Z   2
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  0.352  0.352  0.338  1.0
  K  K1  1  0.648  0.648  0.662  1.0
  K  K2  1  0.680  0.680  0.189  1.0
  K  K3  1  0.320  0.320  0.811  1.0
  K  K4  1  0.155  0.155  0.645  1.0
  K  K5  1  0.845  0.845  0.355  1.0
  Zr  Zr6  1  0.756  0.244  0.500  1.0
  Zr  Zr7  1  0.244  0.756  0.500  1.0
  Zr  Zr8  1  0.289  0.711  0.000  1.0
  Zr  Zr9  1  0.711  0.289  0.000  1.0
  N  N10  1  0.872  0.872  0.849  1.0
  N  N11  1  0.128  0.128  0.151  1.0
  F  F12  1  0.636  0.018  0.556  1.0
  F  F13  1  0.364  0.982  0.444  1.0
  F  F14  1  0.982  0.364  0.444  1.0
  F  F15  1  0.018  0.636  0.556  1.0
  F  F16  1  0.293  0.679  0.658  1.0
  F  F17  1  0.707  0.321  0.342  1.0
  F  F18  1  0.321  0.707  0.342  1.0
  F  F19  1  0.679  0.293  0.658  1.0
  F  F20  1  0.870  0.870  0.954  1.0
  F  F21  1  0.130  0.130  0.046  1.0
  F  F22  1  0.208  0.558  0.944  1.0
  F  F23  1  0.792  0.442  0.056  1.0
  F  F24  1  0.442  0.792  0.056  1.0
  F  F25  1  0.558  0.208  0.944  1.0
  F  F26  1  0.983  0.983  0.596  1.0
  F  F27  1  0.017  0.017  0.404  1.0
  F  F28  1  0.582  0.582  0.893  1.0
  F  F29  1  0.418  0.418  0.107  1.0
  F  F30  1  0.393  0.393  0.545  1.0
  F  F31  1  0.607  0.607  0.455  1.0
  F  F32  1  0.273  0.946  0.859  1.0
  F  F33  1  0.727  0.054  0.141  1.0
  F  F34  1  0.054  0.727  0.141  1.0
  F  F35  1  0.946  0.273  0.859  1.0
[/CIF]
.
The crystal structure described by K3Zr2NF12 crystallizes in the monoclinic C2/m space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 6-coordinate geometry to one F(6), one F(7), two equivalent F(1), and two equivalent F(2) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one F(3), one F(7), two equivalent F(2), two equivalent F(4), and two equivalent F(8) atoms. In the third K site, K(3) is bonded in a 11-coordinate geometry to one N(1), one F(5), one F(7), two equivalent F(2), two equivalent F(8), and four equivalent F(1) atoms. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 8-coordinate geometry to two equivalent F(1), two equivalent F(2), two equivalent F(5), and two equivalent F(7) atoms. In the second Zr site, Zr(2) is bonded to two equivalent F(4), two equivalent F(6), and two equivalent F(8) atoms to form distorted edge-sharing ZrF6 pentagonal pyramids. N(1) is bonded in a single-bond geometry to one K(3) and one F(3) atom. There are eight inequivalent F sites. In the first F site, F(3) is bonded in a single-bond geometry to one K(2) and one N(1) atom. In the second F site, F(4) is bonded in a bent 150 degrees geometry to one K(2) and one Zr(2) atom. In the third F site, F(5) is bonded in a trigonal non-coplanar geometry to one K(3) and two equivalent Zr(1) atoms. In the fourth F site, F(6) is bonded in a trigonal planar geometry to one K(1) and two equivalent Zr(2) atoms. In the fifth F site, F(7) is bonded in a 5-coordinate geometry to one K(1), one K(2), one K(3), and two equivalent Zr(1) atoms. In the sixth F site, F(8) is bonded in a distorted single-bond geometry to one K(2), one K(3), and one Zr(2) atom. In the seventh F site, F(1) is bonded in a 2-coordinate geometry to one K(1), two equivalent K(3), and one Zr(1) atom. In the eighth F site, F(2) is bonded in a 3-coordinate geometry to one K(1), one K(2), one K(3), and one Zr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_K3Zr2NF12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.654
_cell_length_b   7.654
_cell_length_c   13.074
_cell_angle_alpha   66.339
_cell_angle_beta   66.339
_cell_angle_gamma   64.798
_symmetry_Int_Tables_number   1
_cell_volume   609.759
_cell_formula_units_Z   2
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  0.352  0.352  0.338  1.0
  K  K1  1  0.648  0.648  0.662  1.0
  K  K2  1  0.680  0.680  0.189  1.0
  K  K3  1  0.320  0.320  0.811  1.0
  K  K4  1  0.155  0.155  0.645  1.0
  K  K5  1  0.845  0.845  0.355  1.0
  Zr  Zr6  1  0.756  0.244  0.500  1.0
  Zr  Zr7  1  0.244  0.756  0.500  1.0
  Zr  Zr8  1  0.289  0.711  0.000  1.0
  Zr  Zr9  1  0.711  0.289  0.000  1.0
  N  N10  1  0.872  0.872  0.849  1.0
  N  N11  1  0.128  0.128  0.151  1.0
  F  F12  1  0.636  0.018  0.556  1.0
  F  F13  1  0.364  0.982  0.444  1.0
  F  F14  1  0.982  0.364  0.444  1.0
  F  F15  1  0.018  0.636  0.556  1.0
  F  F16  1  0.293  0.679  0.658  1.0
  F  F17  1  0.707  0.321  0.342  1.0
  F  F18  1  0.321  0.707  0.342  1.0
  F  F19  1  0.679  0.293  0.658  1.0
  F  F20  1  0.870  0.870  0.954  1.0
  F  F21  1  0.130  0.130  0.046  1.0
  F  F22  1  0.208  0.558  0.944  1.0
  F  F23  1  0.792  0.442  0.056  1.0
  F  F24  1  0.442  0.792  0.056  1.0
  F  F25  1  0.558  0.208  0.944  1.0
  F  F26  1  0.983  0.983  0.596  1.0
  F  F27  1  0.017  0.017  0.404  1.0
  F  F28  1  0.582  0.582  0.893  1.0
  F  F29  1  0.418  0.418  0.107  1.0
  F  F30  1  0.393  0.393  0.545  1.0
  F  F31  1  0.607  0.607  0.455  1.0
  F  F32  1  0.273  0.946  0.859  1.0
  F  F33  1  0.727  0.054  0.141  1.0
  F  F34  1  0.054  0.727  0.141  1.0
  F  F35  1  0.946  0.273  0.859  1.0
[/CIF]
.