The material described by Ba2MgNi2CuF14 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one F(11), one F(18), one F(2), 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 10-coordinate geometry to one F(13), 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 10-coordinate geometry to one F(1), one F(14), one F(16), one F(2), one F(20), one F(23), one F(25), one F(3), and two equivalent F(10) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one F(17), one F(21), one F(22), one F(26), one F(27), one F(6), one F(7), one F(9), and two equivalent F(12) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 7-coordinate geometry to one F(11), one F(18), one F(22), one F(26), one F(5), one F(6), and one F(9) atom. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to one F(1), one F(13), one F(14), one F(15), one F(16), one F(23), one F(25), and one F(8) atom. 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 50-56°. 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 45-58°. 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 48-59°. 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 49-59°. 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 45-58°. 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 48-59°. There are twenty-eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Ba(3), one Mg(2), and one Ni(3) atom. In the second F site, F(2) is bonded in a 4-coordinate 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 4-coordinate 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 two equivalent Ba(1) and one Ni(4) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one Cu(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Ba(4), one Mg(1), and one Cu(1) atom. In the seventh F site, F(7) is bonded in a 4-coordinate 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 3-coordinate geometry to one Ba(2), one Mg(2), and one Ni(2) atom. In the ninth F site, F(9) is bonded in a distorted trigonal pyramidal geometry to one Ba(1), one Ba(4), one Mg(1), and one Ni(1) atom. In the tenth F site, F(10) is bonded in a 1-coordinate geometry to 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 Mg(1), and one Ni(1) atom. In the twelfth F site, F(12) is bonded in a 1-coordinate geometry to two equivalent Ba(4) and one Ni(1) atom. In the thirteenth F site, F(13) is bonded in a 2-coordinate geometry to one Ba(2), one Mg(2), and one Ni(3) atom. In the fourteenth F site, F(14) is bonded in a 2-coordinate geometry to one Ba(3), one Mg(2), and one Ni(2) atom. In the fifteenth F site, F(15) is bonded in a 3-coordinate geometry to one Ba(2), one Mg(2), and one Cu(1) atom. In the sixteenth F site, F(16) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Mg(2), 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 Mg(1), and one Ni(4) 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 4-coordinate 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 2-coordinate geometry to one Ba(4), one Mg(1), 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 Mg(2), and one Ni(3) atom. In the twenty-fourth F site, F(24) is bonded in a 2-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 3-coordinate geometry to one Ba(3), one Mg(2), and one Cu(2) atom. In the twenty-sixth F site, F(26) is bonded in a distorted trigonal planar geometry to one Ba(4), one Mg(1), and one Ni(1) atom. In the twenty-seventh F site, F(27) is bonded in a 1-coordinate 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 two equivalent Ba(2) and one Ni(2) atom. is represented by the CIF card [CIF]
data_Ba2MgCuNi2F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.257
_cell_length_b   7.343
_cell_length_c   14.551
_cell_angle_alpha   91.590
_cell_angle_beta   90.180
_cell_angle_gamma   110.232
_symmetry_Int_Tables_number   1
_cell_volume   526.796
_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  0.120  0.376  0.629  1.0
  Ba  Ba1  1  0.253  0.377  0.120  1.0
  Ba  Ba2  1  0.878  0.622  0.377  1.0
  Ba  Ba3  1  0.746  0.618  0.874  1.0
  Mg  Mg4  1  0.433  0.018  0.754  1.0
  Mg  Mg5  1  0.571  0.000  0.251  1.0
  Cu  Cu6  1  0.499  0.005  1.000  1.0
  Cu  Cu7  1  0.499  0.000  0.500  1.0
  Ni  Ni8  1  0.100  0.231  0.873  1.0
  Ni  Ni9  1  0.898  0.768  0.127  1.0
  Ni  Ni10  1  0.135  0.235  0.373  1.0
  Ni  Ni11  1  0.865  0.766  0.628  1.0
  F  F12  1  0.900  0.987  0.339  1.0
  F  F13  1  0.863  0.266  0.454  1.0
  F  F14  1  0.138  0.735  0.544  1.0
  F  F15  1  0.664  0.508  0.594  1.0
  F  F16  1  0.603  0.101  0.622  1.0
  F  F17  1  0.505  0.901  0.878  1.0
  F  F18  1  0.405  0.246  0.960  1.0
  F  F19  1  0.917  0.016  0.162  1.0
  F  F20  1  0.380  0.317  0.772  1.0
  F  F21  1  0.336  0.495  0.402  1.0
  F  F22  1  0.806  0.223  0.787  1.0
  F  F23  1  0.171  0.499  0.908  1.0
  F  F24  1  0.410  0.222  0.290  1.0
  F  F25  1  0.184  0.777  0.209  1.0
  F  F26  1  0.499  0.100  0.126  1.0
  F  F27  1  0.630  0.685  0.224  1.0
  F  F28  1  0.130  0.840  0.019  1.0
  F  F29  1  0.102  0.013  0.659  1.0
  F  F30  1  0.869  0.160  0.987  1.0
  F  F31  1  0.713  0.839  0.515  1.0
  F  F32  1  0.599  0.744  0.044  1.0
  F  F33  1  0.590  0.778  0.709  1.0
  F  F34  1  0.949  0.319  0.275  1.0
  F  F35  1  0.288  0.164  0.483  1.0
  F  F36  1  0.397  0.900  0.376  1.0
  F  F37  1  0.087  0.976  0.836  1.0
  F  F38  1  0.048  0.677  0.723  1.0
  F  F39  1  0.835  0.508  0.096  1.0
[/CIF]
.
The material described by Ba2MgNi2CuF14 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one F(11), one F(18), one F(2), 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 10-coordinate geometry to one F(13), 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 10-coordinate geometry to one F(1), one F(14), one F(16), one F(2), one F(20), one F(23), one F(25), one F(3), and two equivalent F(10) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one F(17), one F(21), one F(22), one F(26), one F(27), one F(6), one F(7), one F(9), and two equivalent F(12) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 7-coordinate geometry to one F(11), one F(18), one F(22), one F(26), one F(5), one F(6), and one F(9) atom. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to one F(1), one F(13), one F(14), one F(15), one F(16), one F(23), one F(25), and one F(8) atom. 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 50-56°. 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 45-58°. 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 48-59°. 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 49-59°. 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 45-58°. 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 48-59°. There are twenty-eight inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Ba(3), one Mg(2), and one Ni(3) atom. In the second F site, F(2) is bonded in a 4-coordinate 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 4-coordinate 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 two equivalent Ba(1) and one Ni(4) atom. In the fifth F site, F(5) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one Cu(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Ba(4), one Mg(1), and one Cu(1) atom. In the seventh F site, F(7) is bonded in a 4-coordinate 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 3-coordinate geometry to one Ba(2), one Mg(2), and one Ni(2) atom. In the ninth F site, F(9) is bonded in a distorted trigonal pyramidal geometry to one Ba(1), one Ba(4), one Mg(1), and one Ni(1) atom. In the tenth F site, F(10) is bonded in a 1-coordinate geometry to 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 Mg(1), and one Ni(1) atom. In the twelfth F site, F(12) is bonded in a 1-coordinate geometry to two equivalent Ba(4) and one Ni(1) atom. In the thirteenth F site, F(13) is bonded in a 2-coordinate geometry to one Ba(2), one Mg(2), and one Ni(3) atom. In the fourteenth F site, F(14) is bonded in a 2-coordinate geometry to one Ba(3), one Mg(2), and one Ni(2) atom. In the fifteenth F site, F(15) is bonded in a 3-coordinate geometry to one Ba(2), one Mg(2), and one Cu(1) atom. In the sixteenth F site, F(16) is bonded in a 4-coordinate geometry to one Ba(2), one Ba(3), one Mg(2), 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 Mg(1), and one Ni(4) 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 4-coordinate 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 2-coordinate geometry to one Ba(4), one Mg(1), 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 Mg(2), and one Ni(3) atom. In the twenty-fourth F site, F(24) is bonded in a 2-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 3-coordinate geometry to one Ba(3), one Mg(2), and one Cu(2) atom. In the twenty-sixth F site, F(26) is bonded in a distorted trigonal planar geometry to one Ba(4), one Mg(1), and one Ni(1) atom. In the twenty-seventh F site, F(27) is bonded in a 1-coordinate 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 two equivalent Ba(2) and one Ni(2) atom. is represented by the CIF card [CIF]
data_Ba2MgCuNi2F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.257
_cell_length_b   7.343
_cell_length_c   14.551
_cell_angle_alpha   91.590
_cell_angle_beta   90.180
_cell_angle_gamma   110.232
_symmetry_Int_Tables_number   1
_cell_volume   526.796
_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  0.120  0.376  0.629  1.0
  Ba  Ba1  1  0.253  0.377  0.120  1.0
  Ba  Ba2  1  0.878  0.622  0.377  1.0
  Ba  Ba3  1  0.746  0.618  0.874  1.0
  Mg  Mg4  1  0.433  0.018  0.754  1.0
  Mg  Mg5  1  0.571  0.000  0.251  1.0
  Cu  Cu6  1  0.499  0.005  1.000  1.0
  Cu  Cu7  1  0.499  0.000  0.500  1.0
  Ni  Ni8  1  0.100  0.231  0.873  1.0
  Ni  Ni9  1  0.898  0.768  0.127  1.0
  Ni  Ni10  1  0.135  0.235  0.373  1.0
  Ni  Ni11  1  0.865  0.766  0.628  1.0
  F  F12  1  0.900  0.987  0.339  1.0
  F  F13  1  0.863  0.266  0.454  1.0
  F  F14  1  0.138  0.735  0.544  1.0
  F  F15  1  0.664  0.508  0.594  1.0
  F  F16  1  0.603  0.101  0.622  1.0
  F  F17  1  0.505  0.901  0.878  1.0
  F  F18  1  0.405  0.246  0.960  1.0
  F  F19  1  0.917  0.016  0.162  1.0
  F  F20  1  0.380  0.317  0.772  1.0
  F  F21  1  0.336  0.495  0.402  1.0
  F  F22  1  0.806  0.223  0.787  1.0
  F  F23  1  0.171  0.499  0.908  1.0
  F  F24  1  0.410  0.222  0.290  1.0
  F  F25  1  0.184  0.777  0.209  1.0
  F  F26  1  0.499  0.100  0.126  1.0
  F  F27  1  0.630  0.685  0.224  1.0
  F  F28  1  0.130  0.840  0.019  1.0
  F  F29  1  0.102  0.013  0.659  1.0
  F  F30  1  0.869  0.160  0.987  1.0
  F  F31  1  0.713  0.839  0.515  1.0
  F  F32  1  0.599  0.744  0.044  1.0
  F  F33  1  0.590  0.778  0.709  1.0
  F  F34  1  0.949  0.319  0.275  1.0
  F  F35  1  0.288  0.164  0.483  1.0
  F  F36  1  0.397  0.900  0.376  1.0
  F  F37  1  0.087  0.976  0.836  1.0
  F  F38  1  0.048  0.677  0.723  1.0
  F  F39  1  0.835  0.508  0.096  1.0
[/CIF]
.