The structure described by Ba2MgCo2CuF14 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 8-coordinate geometry to two equivalent F(1), two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. Co(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 CoF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. Cu(1) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(7) atoms to form CuF6 octahedra that share corners with four equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. There are seven inequivalent F sites. In the first F site, F(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Mg(1), and one Co(1) atom. In the second F site, F(6) is bonded in a 2-coordinate geometry to one Ba(1), one Mg(1), and one Co(1) atom. In the third F site, F(7) is bonded in a 2-coordinate geometry to one Ba(1), one Co(1), and one Cu(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 Co(1) atom. In the fifth F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Co(1), and one Cu(1) atom. In the sixth F site, F(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Co(1) atom. In the seventh F site, F(4) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_Ba2MgCo2CuF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.453
_cell_length_b   7.453
_cell_length_c   14.589
_cell_angle_alpha   87.568
_cell_angle_beta   87.568
_cell_angle_gamma   41.906
_symmetry_Int_Tables_number   1
_cell_volume   540.741
_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  0.734  0.888  0.125  1.0
  Ba  Ba1  1  0.888  0.734  0.625  1.0
  Ba  Ba2  1  0.266  0.112  0.875  1.0
  Ba  Ba3  1  0.112  0.266  0.375  1.0
  Mg  Mg4  1  0.440  0.560  0.250  1.0
  Mg  Mg5  1  0.560  0.440  0.750  1.0
  Co  Co6  1  0.862  0.901  0.373  1.0
  Co  Co7  1  0.138  0.099  0.627  1.0
  Co  Co8  1  0.901  0.862  0.873  1.0
  Co  Co9  1  0.099  0.138  0.127  1.0
  Cu  Cu10  1  0.500  0.500  0.500  1.0
  Cu  Cu11  1  0.500  0.500  0.000  1.0
  F  F12  1  0.903  0.104  0.839  1.0
  F  F13  1  0.592  0.128  0.957  1.0
  F  F14  1  0.408  0.872  0.043  1.0
  F  F15  1  0.148  0.344  0.098  1.0
  F  F16  1  0.500  0.400  0.123  1.0
  F  F17  1  0.600  0.500  0.377  1.0
  F  F18  1  0.128  0.592  0.457  1.0
  F  F19  1  0.896  0.097  0.661  1.0
  F  F20  1  0.040  0.638  0.274  1.0
  F  F21  1  0.852  0.656  0.902  1.0
  F  F22  1  0.583  0.197  0.289  1.0
  F  F23  1  0.656  0.852  0.402  1.0
  F  F24  1  0.197  0.583  0.789  1.0
  F  F25  1  0.417  0.803  0.711  1.0
  F  F26  1  0.400  0.500  0.623  1.0
  F  F27  1  0.960  0.362  0.726  1.0
  F  F28  1  0.285  0.877  0.517  1.0
  F  F29  1  0.097  0.896  0.161  1.0
  F  F30  1  0.715  0.123  0.483  1.0
  F  F31  1  0.877  0.285  0.017  1.0
  F  F32  1  0.872  0.408  0.543  1.0
  F  F33  1  0.803  0.417  0.211  1.0
  F  F34  1  0.638  0.040  0.774  1.0
  F  F35  1  0.123  0.715  0.983  1.0
  F  F36  1  0.500  0.600  0.877  1.0
  F  F37  1  0.104  0.903  0.339  1.0
  F  F38  1  0.362  0.960  0.226  1.0
  F  F39  1  0.344  0.148  0.598  1.0
[/CIF]
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The structure described by Ba2MgCo2CuF14 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 8-coordinate geometry to two equivalent F(1), two equivalent F(4), two equivalent F(5), and two equivalent F(6) atoms. Co(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 CoF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. Cu(1) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(7) atoms to form CuF6 octahedra that share corners with four equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 47-63°. There are seven inequivalent F sites. In the first F site, F(5) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Mg(1), and one Co(1) atom. In the second F site, F(6) is bonded in a 2-coordinate geometry to one Ba(1), one Mg(1), and one Co(1) atom. In the third F site, F(7) is bonded in a 2-coordinate geometry to one Ba(1), one Co(1), and one Cu(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 Co(1) atom. In the fifth F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Ba(1), one Co(1), and one Cu(1) atom. In the sixth F site, F(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Co(1) atom. In the seventh F site, F(4) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one Cu(1) atom. is represented by the CIF card [CIF]
data_Ba2MgCo2CuF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.453
_cell_length_b   7.453
_cell_length_c   14.589
_cell_angle_alpha   87.568
_cell_angle_beta   87.568
_cell_angle_gamma   41.906
_symmetry_Int_Tables_number   1
_cell_volume   540.741
_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  0.734  0.888  0.125  1.0
  Ba  Ba1  1  0.888  0.734  0.625  1.0
  Ba  Ba2  1  0.266  0.112  0.875  1.0
  Ba  Ba3  1  0.112  0.266  0.375  1.0
  Mg  Mg4  1  0.440  0.560  0.250  1.0
  Mg  Mg5  1  0.560  0.440  0.750  1.0
  Co  Co6  1  0.862  0.901  0.373  1.0
  Co  Co7  1  0.138  0.099  0.627  1.0
  Co  Co8  1  0.901  0.862  0.873  1.0
  Co  Co9  1  0.099  0.138  0.127  1.0
  Cu  Cu10  1  0.500  0.500  0.500  1.0
  Cu  Cu11  1  0.500  0.500  0.000  1.0
  F  F12  1  0.903  0.104  0.839  1.0
  F  F13  1  0.592  0.128  0.957  1.0
  F  F14  1  0.408  0.872  0.043  1.0
  F  F15  1  0.148  0.344  0.098  1.0
  F  F16  1  0.500  0.400  0.123  1.0
  F  F17  1  0.600  0.500  0.377  1.0
  F  F18  1  0.128  0.592  0.457  1.0
  F  F19  1  0.896  0.097  0.661  1.0
  F  F20  1  0.040  0.638  0.274  1.0
  F  F21  1  0.852  0.656  0.902  1.0
  F  F22  1  0.583  0.197  0.289  1.0
  F  F23  1  0.656  0.852  0.402  1.0
  F  F24  1  0.197  0.583  0.789  1.0
  F  F25  1  0.417  0.803  0.711  1.0
  F  F26  1  0.400  0.500  0.623  1.0
  F  F27  1  0.960  0.362  0.726  1.0
  F  F28  1  0.285  0.877  0.517  1.0
  F  F29  1  0.097  0.896  0.161  1.0
  F  F30  1  0.715  0.123  0.483  1.0
  F  F31  1  0.877  0.285  0.017  1.0
  F  F32  1  0.872  0.408  0.543  1.0
  F  F33  1  0.803  0.417  0.211  1.0
  F  F34  1  0.638  0.040  0.774  1.0
  F  F35  1  0.123  0.715  0.983  1.0
  F  F36  1  0.500  0.600  0.877  1.0
  F  F37  1  0.104  0.903  0.339  1.0
  F  F38  1  0.362  0.960  0.226  1.0
  F  F39  1  0.344  0.148  0.598  1.0
[/CIF]
.