The compound described by Ba2MgCu3F14 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one F(1), one F(13), one F(14), one F(4), one F(8), one F(9), two equivalent F(2), and two equivalent F(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one F(11), one F(12), one F(14), one F(5), one F(7), one F(8), two equivalent F(10), and two equivalent F(6) atoms. Mg(1) is bonded in a 8-coordinate geometry to one F(1), one F(11), one F(14), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(10), one F(12), one F(6), one F(7), one F(8), and one F(9) atom to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the second Cu site, Cu(2) is bonded to one F(1), one F(11), one F(13), one F(14), one F(2), and one F(3) atom to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. In the third Cu site, Cu(3) is bonded to two equivalent F(12), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the fourth Cu site, Cu(4) is bonded to two equivalent F(13), two equivalent F(2), and two equivalent F(4) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mg(1), and one Cu(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Cu(2), and one Cu(4) atom. In the third F site, F(3) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one Cu(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mg(1), and one Cu(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Ba(2), one Mg(1), and one Cu(3) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to two equivalent Ba(2), one Cu(1), and one Cu(3) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Ba(2), one Mg(1), and one Cu(1) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), and one Cu(1) atom. In the ninth F site, F(9) is bonded in a 2-coordinate geometry to one Ba(1), one Mg(1), and one Cu(1) atom. In the tenth F site, F(10) is bonded in a 1-coordinate geometry to two equivalent Ba(2) and one Cu(1) atom. In the eleventh F site, F(11) is bonded in a 2-coordinate geometry to one Ba(2), one Mg(1), and one Cu(2) atom. In the twelfth F site, F(12) is bonded in a 2-coordinate geometry to one Ba(2), one Cu(1), and one Cu(3) atom. In the thirteenth F site, F(13) is bonded in a 2-coordinate geometry to one Ba(1), one Cu(2), and one Cu(4) atom. In the fourteenth F site, F(14) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), and one Cu(2) atom. is represented by the CIF file [CIF]
data_Ba2MgCu3F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.264
_cell_length_b   7.394
_cell_length_c   14.550
_cell_angle_alpha   91.428
_cell_angle_beta   90.239
_cell_angle_gamma   110.390
_symmetry_Int_Tables_number   1
_cell_volume   530.691
_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  0.119  0.377  0.622  1.0
  Ba  Ba1  1  0.257  0.378  0.122  1.0
  Ba  Ba2  1  0.879  0.621  0.376  1.0
  Ba  Ba3  1  0.741  0.620  0.877  1.0
  Mg  Mg4  1  0.428  0.001  0.750  1.0
  Mg  Mg5  1  0.569  0.998  0.249  1.0
  Cu  Cu6  1  0.097  0.230  0.872  1.0
  Cu  Cu7  1  0.901  0.768  0.127  1.0
  Cu  Cu8  1  0.133  0.235  0.371  1.0
  Cu  Cu9  1  0.864  0.764  0.627  1.0
  Cu  Cu10  1  0.499  0.999  1.000  1.0
  Cu  Cu11  1  0.499  0.999  0.499  1.0
  F  F12  1  0.889  0.984  0.338  1.0
  F  F13  1  0.863  0.266  0.455  1.0
  F  F14  1  0.135  0.733  0.544  1.0
  F  F15  1  0.660  0.503  0.594  1.0
  F  F16  1  0.602  0.103  0.620  1.0
  F  F17  1  0.506  0.900  0.877  1.0
  F  F18  1  0.404  0.251  0.956  1.0
  F  F19  1  0.910  0.019  0.161  1.0
  F  F20  1  0.365  0.317  0.775  1.0
  F  F21  1  0.337  0.496  0.404  1.0
  F  F22  1  0.804  0.221  0.786  1.0
  F  F23  1  0.162  0.494  0.904  1.0
  F  F24  1  0.416  0.220  0.288  1.0
  F  F25  1  0.194  0.777  0.212  1.0
  F  F26  1  0.493  0.099  0.122  1.0
  F  F27  1  0.633  0.681  0.223  1.0
  F  F28  1  0.122  0.837  0.016  1.0
  F  F29  1  0.108  0.015  0.660  1.0
  F  F30  1  0.877  0.162  0.983  1.0
  F  F31  1  0.708  0.841  0.519  1.0
  F  F32  1  0.594  0.747  0.043  1.0
  F  F33  1  0.582  0.778  0.710  1.0
  F  F34  1  0.955  0.324  0.274  1.0
  F  F35  1  0.288  0.158  0.480  1.0
  F  F36  1  0.395  0.896  0.379  1.0
  F  F37  1  0.088  0.980  0.837  1.0
  F  F38  1  0.043  0.675  0.725  1.0
  F  F39  1  0.836  0.505  0.094  1.0
[/CIF]
.
The compound described by Ba2MgCu3F14 crystallizes in the triclinic P-1 space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one F(1), one F(13), one F(14), one F(4), one F(8), one F(9), two equivalent F(2), and two equivalent F(3) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one F(11), one F(12), one F(14), one F(5), one F(7), one F(8), two equivalent F(10), and two equivalent F(6) atoms. Mg(1) is bonded in a 8-coordinate geometry to one F(1), one F(11), one F(14), one F(4), one F(5), one F(7), one F(8), and one F(9) atom. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(10), one F(12), one F(6), one F(7), one F(8), and one F(9) atom to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the second Cu site, Cu(2) is bonded to one F(1), one F(11), one F(13), one F(14), one F(2), and one F(3) atom to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. In the third Cu site, Cu(3) is bonded to two equivalent F(12), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the fourth Cu site, Cu(4) is bonded to two equivalent F(13), two equivalent F(2), and two equivalent F(4) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles range from 45-59°. There are fourteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mg(1), and one Cu(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Cu(2), and one Cu(4) atom. In the third F site, F(3) is bonded in a 1-coordinate geometry to two equivalent Ba(1) and one Cu(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mg(1), and one Cu(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Ba(2), one Mg(1), and one Cu(3) atom. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to two equivalent Ba(2), one Cu(1), and one Cu(3) atom. In the seventh F site, F(7) is bonded in a distorted trigonal planar geometry to one Ba(2), one Mg(1), and one Cu(1) atom. In the eighth F site, F(8) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), and one Cu(1) atom. In the ninth F site, F(9) is bonded in a 2-coordinate geometry to one Ba(1), one Mg(1), and one Cu(1) atom. In the tenth F site, F(10) is bonded in a 1-coordinate geometry to two equivalent Ba(2) and one Cu(1) atom. In the eleventh F site, F(11) is bonded in a 2-coordinate geometry to one Ba(2), one Mg(1), and one Cu(2) atom. In the twelfth F site, F(12) is bonded in a 2-coordinate geometry to one Ba(2), one Cu(1), and one Cu(3) atom. In the thirteenth F site, F(13) is bonded in a 2-coordinate geometry to one Ba(1), one Cu(2), and one Cu(4) atom. In the fourteenth F site, F(14) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(2), one Mg(1), and one Cu(2) atom. is represented by the CIF file [CIF]
data_Ba2MgCu3F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.264
_cell_length_b   7.394
_cell_length_c   14.550
_cell_angle_alpha   91.428
_cell_angle_beta   90.239
_cell_angle_gamma   110.390
_symmetry_Int_Tables_number   1
_cell_volume   530.691
_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  0.119  0.377  0.622  1.0
  Ba  Ba1  1  0.257  0.378  0.122  1.0
  Ba  Ba2  1  0.879  0.621  0.376  1.0
  Ba  Ba3  1  0.741  0.620  0.877  1.0
  Mg  Mg4  1  0.428  0.001  0.750  1.0
  Mg  Mg5  1  0.569  0.998  0.249  1.0
  Cu  Cu6  1  0.097  0.230  0.872  1.0
  Cu  Cu7  1  0.901  0.768  0.127  1.0
  Cu  Cu8  1  0.133  0.235  0.371  1.0
  Cu  Cu9  1  0.864  0.764  0.627  1.0
  Cu  Cu10  1  0.499  0.999  1.000  1.0
  Cu  Cu11  1  0.499  0.999  0.499  1.0
  F  F12  1  0.889  0.984  0.338  1.0
  F  F13  1  0.863  0.266  0.455  1.0
  F  F14  1  0.135  0.733  0.544  1.0
  F  F15  1  0.660  0.503  0.594  1.0
  F  F16  1  0.602  0.103  0.620  1.0
  F  F17  1  0.506  0.900  0.877  1.0
  F  F18  1  0.404  0.251  0.956  1.0
  F  F19  1  0.910  0.019  0.161  1.0
  F  F20  1  0.365  0.317  0.775  1.0
  F  F21  1  0.337  0.496  0.404  1.0
  F  F22  1  0.804  0.221  0.786  1.0
  F  F23  1  0.162  0.494  0.904  1.0
  F  F24  1  0.416  0.220  0.288  1.0
  F  F25  1  0.194  0.777  0.212  1.0
  F  F26  1  0.493  0.099  0.122  1.0
  F  F27  1  0.633  0.681  0.223  1.0
  F  F28  1  0.122  0.837  0.016  1.0
  F  F29  1  0.108  0.015  0.660  1.0
  F  F30  1  0.877  0.162  0.983  1.0
  F  F31  1  0.708  0.841  0.519  1.0
  F  F32  1  0.594  0.747  0.043  1.0
  F  F33  1  0.582  0.778  0.710  1.0
  F  F34  1  0.955  0.324  0.274  1.0
  F  F35  1  0.288  0.158  0.480  1.0
  F  F36  1  0.395  0.896  0.379  1.0
  F  F37  1  0.088  0.980  0.837  1.0
  F  F38  1  0.043  0.675  0.725  1.0
  F  F39  1  0.836  0.505  0.094  1.0
[/CIF]
.