The material described by BaCoZnF7 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded to one F(1), one F(2), two equivalent F(3), two equivalent F(4), two equivalent F(5), two equivalent F(6), and two equivalent F(7) atoms to form distorted BaF12 cuboctahedra that share corners with two equivalent Ba(1)F12 cuboctahedra, corners with three equivalent Co(1)F6 octahedra, corners with three equivalent Zn(1)F6 octahedra, edges with four equivalent Ba(1)F12 cuboctahedra, edges with two equivalent Co(1)F6 octahedra, edges with two equivalent Zn(1)F6 octahedra,  a faceface with one Co(1)F6 octahedra, and  a faceface with one Zn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. Co(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form CoF6 octahedra that share corners with three equivalent Ba(1)F12 cuboctahedra, corners with three equivalent Zn(1)F6 octahedra, edges with two equivalent Ba(1)F12 cuboctahedra,  an edgeedge with one Zn(1)F6 octahedra, and  a faceface with one Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 50-56°. Zn(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form ZnF6 octahedra that share corners with three equivalent Ba(1)F12 cuboctahedra, corners with three equivalent Co(1)F6 octahedra, edges with two equivalent Ba(1)F12 cuboctahedra,  an edgeedge with one Co(1)F6 octahedra, and  a faceface with one Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Co(1), and one Zn(1) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Co(1), and one Zn(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Co(1), and one Zn(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Co(1) atom. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Co(1), and one Zn(1) atom. In the sixth F site, F(6) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Co(1), and one Zn(1) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_BaZnCoF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.012
_cell_length_b   5.672
_cell_length_c   9.616
_cell_angle_alpha   86.928
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   545.233
_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
  Ba  Ba0  1  0.313  0.736  0.500  1.0
  Ba  Ba1  1  0.813  0.264  0.000  1.0
  Ba  Ba2  1  0.687  0.264  0.500  1.0
  Ba  Ba3  1  0.187  0.736  1.000  1.0
  Zn  Zn4  1  0.400  0.302  0.810  1.0
  Zn  Zn5  1  0.900  0.698  0.690  1.0
  Zn  Zn6  1  0.100  0.302  0.310  1.0
  Zn  Zn7  1  0.600  0.698  0.190  1.0
  Co  Co8  1  0.612  0.805  0.810  1.0
  Co  Co9  1  0.388  0.195  0.190  1.0
  Co  Co10  1  0.888  0.805  0.310  1.0
  Co  Co11  1  0.112  0.195  0.690  1.0
  F  F12  1  0.442  0.889  0.121  1.0
  F  F13  1  0.050  0.636  0.371  1.0
  F  F14  1  0.709  0.522  0.751  1.0
  F  F15  1  0.291  0.478  0.249  1.0
  F  F16  1  0.456  0.114  0.364  1.0
  F  F17  1  0.809  0.742  0.492  1.0
  F  F18  1  0.779  0.979  0.750  1.0
  F  F19  1  0.956  0.886  0.136  1.0
  F  F20  1  0.450  0.636  0.871  1.0
  F  F21  1  0.209  0.478  0.749  1.0
  F  F22  1  0.058  0.889  0.621  1.0
  F  F23  1  0.558  0.111  0.879  1.0
  F  F24  1  0.279  0.021  0.750  1.0
  F  F25  1  0.959  0.616  0.880  1.0
  F  F26  1  0.544  0.886  0.636  1.0
  F  F27  1  0.044  0.114  0.864  1.0
  F  F28  1  0.221  0.021  0.250  1.0
  F  F29  1  0.942  0.111  0.379  1.0
  F  F30  1  0.459  0.384  0.620  1.0
  F  F31  1  0.950  0.364  0.629  1.0
  F  F32  1  0.041  0.384  0.120  1.0
  F  F33  1  0.721  0.979  0.250  1.0
  F  F34  1  0.541  0.616  0.380  1.0
  F  F35  1  0.309  0.258  0.008  1.0
  F  F36  1  0.191  0.258  0.508  1.0
  F  F37  1  0.691  0.742  0.992  1.0
  F  F38  1  0.550  0.364  0.129  1.0
  F  F39  1  0.791  0.522  0.251  1.0
[/CIF]
.
The material described by BaCoZnF7 crystallizes in the monoclinic P2_1/c space group. Ba(1) is bonded to one F(1), one F(2), two equivalent F(3), two equivalent F(4), two equivalent F(5), two equivalent F(6), and two equivalent F(7) atoms to form distorted BaF12 cuboctahedra that share corners with two equivalent Ba(1)F12 cuboctahedra, corners with three equivalent Co(1)F6 octahedra, corners with three equivalent Zn(1)F6 octahedra, edges with four equivalent Ba(1)F12 cuboctahedra, edges with two equivalent Co(1)F6 octahedra, edges with two equivalent Zn(1)F6 octahedra,  a faceface with one Co(1)F6 octahedra, and  a faceface with one Zn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-53°. Co(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom to form CoF6 octahedra that share corners with three equivalent Ba(1)F12 cuboctahedra, corners with three equivalent Zn(1)F6 octahedra, edges with two equivalent Ba(1)F12 cuboctahedra,  an edgeedge with one Zn(1)F6 octahedra, and  a faceface with one Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 50-56°. Zn(1) is bonded to one F(1), one F(2), one F(3), one F(5), one F(6), and one F(7) atom to form ZnF6 octahedra that share corners with three equivalent Ba(1)F12 cuboctahedra, corners with three equivalent Co(1)F6 octahedra, edges with two equivalent Ba(1)F12 cuboctahedra,  an edgeedge with one Co(1)F6 octahedra, and  a faceface with one Ba(1)F12 cuboctahedra. The corner-sharing octahedral tilt angles range from 50-56°. There are seven inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Co(1), and one Zn(1) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Co(1), and one Zn(1) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Co(1), and one Zn(1) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Co(1) atom. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Co(1), and one Zn(1) atom. In the sixth F site, F(6) is bonded in a distorted water-like geometry to two equivalent Ba(1), one Co(1), and one Zn(1) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to two equivalent Ba(1) and one Zn(1) atom. is represented by the CIF file [CIF]
data_BaZnCoF7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.012
_cell_length_b   5.672
_cell_length_c   9.616
_cell_angle_alpha   86.928
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   545.233
_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
  Ba  Ba0  1  0.313  0.736  0.500  1.0
  Ba  Ba1  1  0.813  0.264  0.000  1.0
  Ba  Ba2  1  0.687  0.264  0.500  1.0
  Ba  Ba3  1  0.187  0.736  1.000  1.0
  Zn  Zn4  1  0.400  0.302  0.810  1.0
  Zn  Zn5  1  0.900  0.698  0.690  1.0
  Zn  Zn6  1  0.100  0.302  0.310  1.0
  Zn  Zn7  1  0.600  0.698  0.190  1.0
  Co  Co8  1  0.612  0.805  0.810  1.0
  Co  Co9  1  0.388  0.195  0.190  1.0
  Co  Co10  1  0.888  0.805  0.310  1.0
  Co  Co11  1  0.112  0.195  0.690  1.0
  F  F12  1  0.442  0.889  0.121  1.0
  F  F13  1  0.050  0.636  0.371  1.0
  F  F14  1  0.709  0.522  0.751  1.0
  F  F15  1  0.291  0.478  0.249  1.0
  F  F16  1  0.456  0.114  0.364  1.0
  F  F17  1  0.809  0.742  0.492  1.0
  F  F18  1  0.779  0.979  0.750  1.0
  F  F19  1  0.956  0.886  0.136  1.0
  F  F20  1  0.450  0.636  0.871  1.0
  F  F21  1  0.209  0.478  0.749  1.0
  F  F22  1  0.058  0.889  0.621  1.0
  F  F23  1  0.558  0.111  0.879  1.0
  F  F24  1  0.279  0.021  0.750  1.0
  F  F25  1  0.959  0.616  0.880  1.0
  F  F26  1  0.544  0.886  0.636  1.0
  F  F27  1  0.044  0.114  0.864  1.0
  F  F28  1  0.221  0.021  0.250  1.0
  F  F29  1  0.942  0.111  0.379  1.0
  F  F30  1  0.459  0.384  0.620  1.0
  F  F31  1  0.950  0.364  0.629  1.0
  F  F32  1  0.041  0.384  0.120  1.0
  F  F33  1  0.721  0.979  0.250  1.0
  F  F34  1  0.541  0.616  0.380  1.0
  F  F35  1  0.309  0.258  0.008  1.0
  F  F36  1  0.191  0.258  0.508  1.0
  F  F37  1  0.691  0.742  0.992  1.0
  F  F38  1  0.550  0.364  0.129  1.0
  F  F39  1  0.791  0.522  0.251  1.0
[/CIF]
.