The compound described by Ba2MgCuBi2F14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to one F(1), one F(4), one F(6), one F(7), two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms. Mg(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(4), and two equivalent F(6) atoms. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent F(2), two equivalent F(4), and two equivalent F(7) atoms. Bi(1) is bonded in a distorted pentagonal bipyramidal geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom. There are seven inequivalent F sites. In the first F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one Bi(1) atom. In the second F site, F(6) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mg(1), and one Bi(1) atom. In the third F site, F(7) is bonded in a 3-coordinate geometry to one Ba(1), one Cu(1), and one Bi(1) atom. In the fourth F site, F(1) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one Bi(1) atom. In the fifth F site, F(2) is bonded to two equivalent Ba(1), one Cu(1), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing FBa2CuBi tetrahedra. In the sixth F site, F(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1) and one Bi(1) atom. In the seventh F site, F(4) is bonded in a distorted single-bond geometry to one Ba(1), one Mg(1), one Cu(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2MgCuBi2F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.775
_cell_length_b   7.775
_cell_length_c   16.146
_cell_angle_alpha   89.977
_cell_angle_beta   89.977
_cell_angle_gamma   40.307
_symmetry_Int_Tables_number   1
_cell_volume   631.327
_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  0.283  0.079  0.128  1.0
  Ba  Ba1  1  0.079  0.283  0.628  1.0
  Ba  Ba2  1  0.717  0.921  0.872  1.0
  Ba  Ba3  1  0.921  0.717  0.372  1.0
  Mg  Mg4  1  0.562  0.438  0.250  1.0
  Mg  Mg5  1  0.438  0.562  0.750  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Cu  Cu7  1  0.500  0.500  0.000  1.0
  Bi  Bi8  1  0.162  0.055  0.378  1.0
  Bi  Bi9  1  0.838  0.945  0.622  1.0
  Bi  Bi10  1  0.055  0.162  0.878  1.0
  Bi  Bi11  1  0.945  0.838  0.122  1.0
  F  F12  1  0.146  0.819  0.828  1.0
  F  F13  1  0.428  0.869  0.955  1.0
  F  F14  1  0.572  0.131  0.045  1.0
  F  F15  1  0.894  0.597  0.102  1.0
  F  F16  1  0.395  0.653  0.109  1.0
  F  F17  1  0.347  0.605  0.391  1.0
  F  F18  1  0.869  0.428  0.455  1.0
  F  F19  1  0.181  0.854  0.672  1.0
  F  F20  1  0.004  0.352  0.281  1.0
  F  F21  1  0.106  0.403  0.898  1.0
  F  F22  1  0.436  0.770  0.263  1.0
  F  F23  1  0.403  0.106  0.398  1.0
  F  F24  1  0.770  0.436  0.763  1.0
  F  F25  1  0.564  0.230  0.737  1.0
  F  F26  1  0.653  0.395  0.609  1.0
  F  F27  1  0.996  0.648  0.719  1.0
  F  F28  1  0.723  0.127  0.485  1.0
  F  F29  1  0.854  0.181  0.172  1.0
  F  F30  1  0.277  0.873  0.515  1.0
  F  F31  1  0.127  0.723  0.985  1.0
  F  F32  1  0.131  0.572  0.545  1.0
  F  F33  1  0.230  0.564  0.237  1.0
  F  F34  1  0.352  0.004  0.781  1.0
  F  F35  1  0.873  0.277  0.015  1.0
  F  F36  1  0.605  0.347  0.891  1.0
  F  F37  1  0.819  0.146  0.328  1.0
  F  F38  1  0.648  0.996  0.219  1.0
  F  F39  1  0.597  0.894  0.602  1.0
[/CIF]
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The compound described by Ba2MgCuBi2F14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 10-coordinate geometry to one F(1), one F(4), one F(6), one F(7), two equivalent F(2), two equivalent F(3), and two equivalent F(5) atoms. Mg(1) is bonded in a 6-coordinate geometry to two equivalent F(1), two equivalent F(4), and two equivalent F(6) atoms. Cu(1) is bonded in a distorted square co-planar geometry to two equivalent F(2), two equivalent F(4), and two equivalent F(7) atoms. Bi(1) is bonded in a distorted pentagonal bipyramidal geometry to one F(1), one F(2), one F(3), one F(4), one F(5), one F(6), and one F(7) atom. There are seven inequivalent F sites. In the first F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba(1) and one Bi(1) atom. In the second F site, F(6) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mg(1), and one Bi(1) atom. In the third F site, F(7) is bonded in a 3-coordinate geometry to one Ba(1), one Cu(1), and one Bi(1) atom. In the fourth F site, F(1) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one Bi(1) atom. In the fifth F site, F(2) is bonded to two equivalent Ba(1), one Cu(1), and one Bi(1) atom to form a mixture of distorted corner and edge-sharing FBa2CuBi tetrahedra. In the sixth F site, F(3) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1) and one Bi(1) atom. In the seventh F site, F(4) is bonded in a distorted single-bond geometry to one Ba(1), one Mg(1), one Cu(1), and one Bi(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2MgCuBi2F14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.775
_cell_length_b   7.775
_cell_length_c   16.146
_cell_angle_alpha   89.977
_cell_angle_beta   89.977
_cell_angle_gamma   40.307
_symmetry_Int_Tables_number   1
_cell_volume   631.327
_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  0.283  0.079  0.128  1.0
  Ba  Ba1  1  0.079  0.283  0.628  1.0
  Ba  Ba2  1  0.717  0.921  0.872  1.0
  Ba  Ba3  1  0.921  0.717  0.372  1.0
  Mg  Mg4  1  0.562  0.438  0.250  1.0
  Mg  Mg5  1  0.438  0.562  0.750  1.0
  Cu  Cu6  1  0.500  0.500  0.500  1.0
  Cu  Cu7  1  0.500  0.500  0.000  1.0
  Bi  Bi8  1  0.162  0.055  0.378  1.0
  Bi  Bi9  1  0.838  0.945  0.622  1.0
  Bi  Bi10  1  0.055  0.162  0.878  1.0
  Bi  Bi11  1  0.945  0.838  0.122  1.0
  F  F12  1  0.146  0.819  0.828  1.0
  F  F13  1  0.428  0.869  0.955  1.0
  F  F14  1  0.572  0.131  0.045  1.0
  F  F15  1  0.894  0.597  0.102  1.0
  F  F16  1  0.395  0.653  0.109  1.0
  F  F17  1  0.347  0.605  0.391  1.0
  F  F18  1  0.869  0.428  0.455  1.0
  F  F19  1  0.181  0.854  0.672  1.0
  F  F20  1  0.004  0.352  0.281  1.0
  F  F21  1  0.106  0.403  0.898  1.0
  F  F22  1  0.436  0.770  0.263  1.0
  F  F23  1  0.403  0.106  0.398  1.0
  F  F24  1  0.770  0.436  0.763  1.0
  F  F25  1  0.564  0.230  0.737  1.0
  F  F26  1  0.653  0.395  0.609  1.0
  F  F27  1  0.996  0.648  0.719  1.0
  F  F28  1  0.723  0.127  0.485  1.0
  F  F29  1  0.854  0.181  0.172  1.0
  F  F30  1  0.277  0.873  0.515  1.0
  F  F31  1  0.127  0.723  0.985  1.0
  F  F32  1  0.131  0.572  0.545  1.0
  F  F33  1  0.230  0.564  0.237  1.0
  F  F34  1  0.352  0.004  0.781  1.0
  F  F35  1  0.873  0.277  0.015  1.0
  F  F36  1  0.605  0.347  0.891  1.0
  F  F37  1  0.819  0.146  0.328  1.0
  F  F38  1  0.648  0.996  0.219  1.0
  F  F39  1  0.597  0.894  0.602  1.0
[/CIF]
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