The crystal structure described by Ba2Ni2CuZnF14 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one F(10), one F(11), one F(18), one F(2), one F(22), one F(24), one F(27), one F(3), one F(5), one F(9), and two equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to one F(12), one F(13), one F(14), one F(15), one F(16), one F(19), one F(21), one F(23), one F(7), one F(8), and two equivalent F(28) atoms. In the third Ba site, Ba(3) is bonded in a 12-coordinate geometry to one F(1), one F(13), one F(14), one F(16), one F(2), one F(20), one F(23), one F(25), one F(3), one F(4), and two equivalent F(10) atoms. In the fourth Ba site, Ba(4) is bonded in a 12-coordinate geometry to one F(11), one F(17), one F(21), one F(22), one F(26), one F(27), one F(28), one F(6), one F(7), one F(9), and two equivalent F(12) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one F(11), one F(12), one F(19), one F(26), one F(7), and one F(9) atom to form NiF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the second Ni site, Ni(2) is bonded to one F(14), one F(16), one F(17), one F(21), one F(28), and one F(8) atom to form NiF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third Ni site, Ni(3) is bonded to one F(1), one F(10), one F(13), one F(2), one F(23), and one F(24) atom to form NiF6 octahedra that share corners with two equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the fourth Ni site, Ni(4) is bonded to one F(18), one F(20), one F(22), one F(27), one F(3), and one F(4) atom to form NiF6 octahedra that share corners with two equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(15), one F(17), one F(19), one F(21), one F(6), and one F(7) atom to form CuF6 octahedra that share corners with two equivalent Ni(1)F6 octahedra and corners with two equivalent Ni(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the second Cu site, Cu(2) is bonded to one F(2), one F(20), one F(24), one F(25), one F(3), and one F(5) atom to form CuF6 octahedra that share corners with two equivalent Ni(3)F6 octahedra and corners with two equivalent Ni(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to one F(11), one F(18), one F(26), one F(5), one F(6), and one F(9) atom. In the second Zn site, Zn(2) is bonded in a 7-coordinate geometry to one F(1), one F(13), one F(14), one F(15), one F(23), one F(25), and one F(8) atom. There are twenty-eight inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ba(3), one Ni(3), and one Zn(2) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(3), one Ni(3), and one Cu(2) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(3), one Ni(4), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Ba(3), two equivalent Ba(1), and one Ni(4) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to one Ba(1), one Cu(2), and one Zn(1) atom. In the sixth F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Ba(4), one Cu(1), and one Zn(1) atom. In the seventh F site, F(7) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one Ba(4), one Ni(1), and one Cu(1) atom. In the eighth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(2), one Ni(2), and one Zn(2) atom. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Ni(1), and one Zn(1) atom. In the tenth F site, F(10) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Ba(3), and one Ni(3) atom. In the eleventh F site, F(11) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(4), one Ni(1), and one Zn(1) atom. In the twelfth F site, F(12) is bonded in a 1-coordinate geometry to one Ba(2), two equivalent Ba(4), and one Ni(1) atom. In the thirteenth F site, F(13) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one Ba(3), one Ni(3), and one Zn(2) atom. In the fourteenth F site, F(14) is bonded in a single-bond geometry to one Ba(2), one Ba(3), one Ni(2), and one Zn(2) atom. In the fifteenth F site, F(15) is bonded in a distorted bent 150 degrees geometry to one Ba(2), one Cu(1), and one Zn(2) atom. In the sixteenth F site, F(16) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(3), and one Ni(2) atom. In the seventeenth F site, F(17) is bonded in a 2-coordinate geometry to one Ba(4), one Ni(2), and one Cu(1) atom. In the eighteenth F site, F(18) is bonded in a 3-coordinate geometry to one Ba(1), one Ni(4), and one Zn(1) atom. In the nineteenth F site, F(19) is bonded in a 2-coordinate geometry to one Ba(2), one Ni(1), and one Cu(1) atom. In the twentieth F site, F(20) is bonded in a 2-coordinate geometry to one Ba(3), one Ni(4), and one Cu(2) atom. In the twenty-first F site, F(21) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one Ba(4), one Ni(2), and one Cu(1) atom. In the twenty-second F site, F(22) is bonded in a single-bond geometry to one Ba(1), one Ba(4), and one Ni(4) atom. In the twenty-third F site, F(23) is bonded in a distorted tetrahedral geometry to one Ba(2), one Ba(3), one Ni(3), and one Zn(2) atom. In the twenty-fourth F site, F(24) is bonded in a 3-coordinate geometry to one Ba(1), one Ni(3), and one Cu(2) atom. In the twenty-fifth F site, F(25) is bonded in a distorted bent 120 degrees geometry to one Ba(3), one Cu(2), and one Zn(2) atom. In the twenty-sixth F site, F(26) is bonded in a 3-coordinate geometry to one Ba(4), one Ni(1), and one Zn(1) atom. In the twenty-seventh F site, F(27) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(4), and one Ni(4) atom. In the twenty-eighth F site, F(28) is bonded in a distorted single-bond geometry to one Ba(4), two equivalent Ba(2), and one Ni(2) atom. is represented by the CIF card [CIF]
data_Ba2ZnCuNi2F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.327
_cell_length_b   7.401
_cell_length_c   14.478
_cell_angle_alpha   89.852
_cell_angle_beta   89.750
_cell_angle_gamma   69.513
_symmetry_Int_Tables_number   1
_cell_volume   534.737
_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
  Ba  Ba0  1  0.757  0.387  0.619  1.0
  Ba  Ba1  1  0.858  0.387  0.119  1.0
  Ba  Ba2  1  0.235  0.605  0.377  1.0
  Ba  Ba3  1  0.159  0.607  0.879  1.0
  Zn  Zn4  1  0.397  0.047  0.760  1.0
  Zn  Zn5  1  0.550  0.038  0.258  1.0
  Cu  Cu6  1  0.510  0.000  0.001  1.0
  Cu  Cu7  1  0.491  0.999  0.503  1.0
  Ni  Ni8  1  0.883  0.227  0.874  1.0
  Ni  Ni9  1  0.130  0.768  0.129  1.0
  Ni  Ni10  1  0.895  0.219  0.373  1.0
  Ni  Ni11  1  0.103  0.770  0.628  1.0
  F  F12  1  0.897  0.964  0.333  1.0
  F  F13  1  0.576  0.223  0.462  1.0
  F  F14  1  0.406  0.771  0.543  1.0
  F  F15  1  0.186  0.520  0.578  1.0
  F  F16  1  0.505  0.097  0.628  1.0
  F  F17  1  0.619  0.904  0.879  1.0
  F  F18  1  0.185  0.234  0.960  1.0
  F  F19  1  0.918  0.018  0.156  1.0
  F  F20  1  0.063  0.321  0.771  1.0
  F  F21  1  0.802  0.488  0.419  1.0
  F  F22  1  0.584  0.242  0.788  1.0
  F  F23  1  0.704  0.491  0.919  1.0
  F  F24  1  0.176  0.237  0.286  1.0
  F  F25  1  0.410  0.758  0.209  1.0
  F  F26  1  0.409  0.097  0.124  1.0
  F  F27  1  0.964  0.658  0.219  1.0
  F  F28  1  0.295  0.846  0.017  1.0
  F  F29  1  0.073  0.018  0.659  1.0
  F  F30  1  0.720  0.152  0.986  1.0
  F  F31  1  0.867  0.849  0.517  1.0
  F  F32  1  0.843  0.761  0.043  1.0
  F  F33  1  0.841  0.746  0.707  1.0
  F  F34  1  0.618  0.316  0.272  1.0
  F  F35  1  0.121  0.153  0.489  1.0
  F  F36  1  0.463  0.906  0.380  1.0
  F  F37  1  0.125  0.969  0.835  1.0
  F  F38  1  0.377  0.659  0.719  1.0
  F  F39  1  0.307  0.517  0.082  1.0
[/CIF]
.
The crystal structure described by Ba2Ni2CuZnF14 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to one F(10), one F(11), one F(18), one F(2), one F(22), one F(24), one F(27), one F(3), one F(5), one F(9), and two equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to one F(12), one F(13), one F(14), one F(15), one F(16), one F(19), one F(21), one F(23), one F(7), one F(8), and two equivalent F(28) atoms. In the third Ba site, Ba(3) is bonded in a 12-coordinate geometry to one F(1), one F(13), one F(14), one F(16), one F(2), one F(20), one F(23), one F(25), one F(3), one F(4), and two equivalent F(10) atoms. In the fourth Ba site, Ba(4) is bonded in a 12-coordinate geometry to one F(11), one F(17), one F(21), one F(22), one F(26), one F(27), one F(28), one F(6), one F(7), one F(9), and two equivalent F(12) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one F(11), one F(12), one F(19), one F(26), one F(7), and one F(9) atom to form NiF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the second Ni site, Ni(2) is bonded to one F(14), one F(16), one F(17), one F(21), one F(28), and one F(8) atom to form NiF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the third Ni site, Ni(3) is bonded to one F(1), one F(10), one F(13), one F(2), one F(23), and one F(24) atom to form NiF6 octahedra that share corners with two equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. In the fourth Ni site, Ni(4) is bonded to one F(18), one F(20), one F(22), one F(27), one F(3), and one F(4) atom to form NiF6 octahedra that share corners with two equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(15), one F(17), one F(19), one F(21), one F(6), and one F(7) atom to form CuF6 octahedra that share corners with two equivalent Ni(1)F6 octahedra and corners with two equivalent Ni(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. In the second Cu site, Cu(2) is bonded to one F(2), one F(20), one F(24), one F(25), one F(3), and one F(5) atom to form CuF6 octahedra that share corners with two equivalent Ni(3)F6 octahedra and corners with two equivalent Ni(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a 6-coordinate geometry to one F(11), one F(18), one F(26), one F(5), one F(6), and one F(9) atom. In the second Zn site, Zn(2) is bonded in a 7-coordinate geometry to one F(1), one F(13), one F(14), one F(15), one F(23), one F(25), and one F(8) atom. There are twenty-eight inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ba(3), one Ni(3), and one Zn(2) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(3), one Ni(3), and one Cu(2) atom. In the third F site, F(3) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one Ba(3), one Ni(4), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to one Ba(3), two equivalent Ba(1), and one Ni(4) atom. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to one Ba(1), one Cu(2), and one Zn(1) atom. In the sixth F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Ba(4), one Cu(1), and one Zn(1) atom. In the seventh F site, F(7) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one Ba(4), one Ni(1), and one Cu(1) atom. In the eighth F site, F(8) is bonded in a distorted single-bond geometry to one Ba(2), one Ni(2), and one Zn(2) atom. In the ninth F site, F(9) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Ni(1), and one Zn(1) atom. In the tenth F site, F(10) is bonded in a 4-coordinate geometry to one Ba(1), two equivalent Ba(3), and one Ni(3) atom. In the eleventh F site, F(11) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(4), one Ni(1), and one Zn(1) atom. In the twelfth F site, F(12) is bonded in a 1-coordinate geometry to one Ba(2), two equivalent Ba(4), and one Ni(1) atom. In the thirteenth F site, F(13) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one Ba(3), one Ni(3), and one Zn(2) atom. In the fourteenth F site, F(14) is bonded in a single-bond geometry to one Ba(2), one Ba(3), one Ni(2), and one Zn(2) atom. In the fifteenth F site, F(15) is bonded in a distorted bent 150 degrees geometry to one Ba(2), one Cu(1), and one Zn(2) atom. In the sixteenth F site, F(16) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ba(3), and one Ni(2) atom. In the seventeenth F site, F(17) is bonded in a 2-coordinate geometry to one Ba(4), one Ni(2), and one Cu(1) atom. In the eighteenth F site, F(18) is bonded in a 3-coordinate geometry to one Ba(1), one Ni(4), and one Zn(1) atom. In the nineteenth F site, F(19) is bonded in a 2-coordinate geometry to one Ba(2), one Ni(1), and one Cu(1) atom. In the twentieth F site, F(20) is bonded in a 2-coordinate geometry to one Ba(3), one Ni(4), and one Cu(2) atom. In the twenty-first F site, F(21) is bonded in a distorted bent 120 degrees geometry to one Ba(2), one Ba(4), one Ni(2), and one Cu(1) atom. In the twenty-second F site, F(22) is bonded in a single-bond geometry to one Ba(1), one Ba(4), and one Ni(4) atom. In the twenty-third F site, F(23) is bonded in a distorted tetrahedral geometry to one Ba(2), one Ba(3), one Ni(3), and one Zn(2) atom. In the twenty-fourth F site, F(24) is bonded in a 3-coordinate geometry to one Ba(1), one Ni(3), and one Cu(2) atom. In the twenty-fifth F site, F(25) is bonded in a distorted bent 120 degrees geometry to one Ba(3), one Cu(2), and one Zn(2) atom. In the twenty-sixth F site, F(26) is bonded in a 3-coordinate geometry to one Ba(4), one Ni(1), and one Zn(1) atom. In the twenty-seventh F site, F(27) is bonded in a distorted trigonal non-coplanar geometry to one Ba(1), one Ba(4), and one Ni(4) atom. In the twenty-eighth F site, F(28) is bonded in a distorted single-bond geometry to one Ba(4), two equivalent Ba(2), and one Ni(2) atom. is represented by the CIF card [CIF]
data_Ba2ZnCuNi2F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.327
_cell_length_b   7.401
_cell_length_c   14.478
_cell_angle_alpha   89.852
_cell_angle_beta   89.750
_cell_angle_gamma   69.513
_symmetry_Int_Tables_number   1
_cell_volume   534.737
_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
  Ba  Ba0  1  0.757  0.387  0.619  1.0
  Ba  Ba1  1  0.858  0.387  0.119  1.0
  Ba  Ba2  1  0.235  0.605  0.377  1.0
  Ba  Ba3  1  0.159  0.607  0.879  1.0
  Zn  Zn4  1  0.397  0.047  0.760  1.0
  Zn  Zn5  1  0.550  0.038  0.258  1.0
  Cu  Cu6  1  0.510  0.000  0.001  1.0
  Cu  Cu7  1  0.491  0.999  0.503  1.0
  Ni  Ni8  1  0.883  0.227  0.874  1.0
  Ni  Ni9  1  0.130  0.768  0.129  1.0
  Ni  Ni10  1  0.895  0.219  0.373  1.0
  Ni  Ni11  1  0.103  0.770  0.628  1.0
  F  F12  1  0.897  0.964  0.333  1.0
  F  F13  1  0.576  0.223  0.462  1.0
  F  F14  1  0.406  0.771  0.543  1.0
  F  F15  1  0.186  0.520  0.578  1.0
  F  F16  1  0.505  0.097  0.628  1.0
  F  F17  1  0.619  0.904  0.879  1.0
  F  F18  1  0.185  0.234  0.960  1.0
  F  F19  1  0.918  0.018  0.156  1.0
  F  F20  1  0.063  0.321  0.771  1.0
  F  F21  1  0.802  0.488  0.419  1.0
  F  F22  1  0.584  0.242  0.788  1.0
  F  F23  1  0.704  0.491  0.919  1.0
  F  F24  1  0.176  0.237  0.286  1.0
  F  F25  1  0.410  0.758  0.209  1.0
  F  F26  1  0.409  0.097  0.124  1.0
  F  F27  1  0.964  0.658  0.219  1.0
  F  F28  1  0.295  0.846  0.017  1.0
  F  F29  1  0.073  0.018  0.659  1.0
  F  F30  1  0.720  0.152  0.986  1.0
  F  F31  1  0.867  0.849  0.517  1.0
  F  F32  1  0.843  0.761  0.043  1.0
  F  F33  1  0.841  0.746  0.707  1.0
  F  F34  1  0.618  0.316  0.272  1.0
  F  F35  1  0.121  0.153  0.489  1.0
  F  F36  1  0.463  0.906  0.380  1.0
  F  F37  1  0.125  0.969  0.835  1.0
  F  F38  1  0.377  0.659  0.719  1.0
  F  F39  1  0.307  0.517  0.082  1.0
[/CIF]
.