The structure described by Ba2MnCoAl2F14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 12-coordinate geometry to one F(3), one F(5), one F(6), two equivalent F(1), two equivalent F(2), two equivalent F(4), and three equivalent F(7) atoms. Mn(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 two equivalent F(2), two equivalent F(3), and two equivalent F(6) atoms to form CoF6 octahedra that share corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. Al(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom to form AlF6 octahedra that share corners with two equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a 2-coordinate geometry to one Ba(1), one Co(1), and one Al(1) atom. In the second F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Mn(1), and one Al(1) atom. In the third F site, F(5) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(1), and one Al(1) atom. In the fourth F site, F(6) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mn(1), and one Co(1) atom. In the fifth F site, F(7) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Al(1) atom. In the sixth F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Mn(1), and one Al(1) atom. In the seventh F site, F(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Co(1), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2MnAl2CoF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.404
_cell_length_b   7.404
_cell_length_c   14.618
_cell_angle_alpha   88.602
_cell_angle_beta   88.602
_cell_angle_gamma   41.660
_symmetry_Int_Tables_number   1
_cell_volume   532.464
_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  0.643  0.735  0.880  1.0
  Ba  Ba1  1  0.357  0.265  0.120  1.0
  Ba  Ba2  1  0.265  0.357  0.620  1.0
  Ba  Ba3  1  0.735  0.643  0.380  1.0
  Mn  Mn4  1  0.943  0.057  0.750  1.0
  Mn  Mn5  1  0.057  0.943  0.250  1.0
  Al  Al6  1  0.616  0.619  0.624  1.0
  Al  Al7  1  0.384  0.381  0.376  1.0
  Al  Al8  1  0.381  0.384  0.876  1.0
  Al  Al9  1  0.619  0.616  0.124  1.0
  Co  Co10  1  0.000  0.000  0.500  1.0
  Co  Co11  1  0.000  0.000  0.000  1.0
  F  F12  1  0.340  0.895  0.700  1.0
  F  F13  1  0.660  0.105  0.300  1.0
  F  F14  1  0.105  0.660  0.800  1.0
  F  F15  1  0.895  0.340  0.200  1.0
  F  F16  1  0.659  0.094  0.952  1.0
  F  F17  1  0.341  0.906  0.048  1.0
  F  F18  1  0.906  0.341  0.548  1.0
  F  F19  1  0.094  0.659  0.452  1.0
  F  F20  1  0.395  0.765  0.524  1.0
  F  F21  1  0.605  0.235  0.476  1.0
  F  F22  1  0.235  0.605  0.976  1.0
  F  F23  1  0.765  0.395  0.024  1.0
  F  F24  1  0.541  0.135  0.782  1.0
  F  F25  1  0.459  0.865  0.218  1.0
  F  F26  1  0.865  0.459  0.718  1.0
  F  F27  1  0.135  0.541  0.282  1.0
  F  F28  1  0.585  0.409  0.658  1.0
  F  F29  1  0.415  0.591  0.342  1.0
  F  F30  1  0.591  0.415  0.842  1.0
  F  F31  1  0.409  0.585  0.158  1.0
  F  F32  1  0.882  0.998  0.124  1.0
  F  F33  1  0.118  0.002  0.876  1.0
  F  F34  1  0.002  0.118  0.376  1.0
  F  F35  1  0.998  0.882  0.624  1.0
  F  F36  1  0.681  0.802  0.588  1.0
  F  F37  1  0.319  0.198  0.412  1.0
  F  F38  1  0.198  0.319  0.912  1.0
  F  F39  1  0.802  0.681  0.088  1.0
[/CIF]
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The structure described by Ba2MnCoAl2F14 crystallizes in the monoclinic C2/c space group. Ba(1) is bonded in a 12-coordinate geometry to one F(3), one F(5), one F(6), two equivalent F(1), two equivalent F(2), two equivalent F(4), and three equivalent F(7) atoms. Mn(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 two equivalent F(2), two equivalent F(3), and two equivalent F(6) atoms to form CoF6 octahedra that share corners with four equivalent Al(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. Al(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(7) atom to form AlF6 octahedra that share corners with two equivalent Co(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 43-54°. There are seven inequivalent F sites. In the first F site, F(3) is bonded in a 2-coordinate geometry to one Ba(1), one Co(1), and one Al(1) atom. In the second F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Mn(1), and one Al(1) atom. In the third F site, F(5) is bonded in a 3-coordinate geometry to one Ba(1), one Mn(1), and one Al(1) atom. In the fourth F site, F(6) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mn(1), and one Co(1) atom. In the fifth F site, F(7) is bonded in a distorted single-bond geometry to three equivalent Ba(1) and one Al(1) atom. In the sixth F site, F(1) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Mn(1), and one Al(1) atom. In the seventh F site, F(2) is bonded in a 2-coordinate geometry to two equivalent Ba(1), one Co(1), and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ba2MnAl2CoF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.404
_cell_length_b   7.404
_cell_length_c   14.618
_cell_angle_alpha   88.602
_cell_angle_beta   88.602
_cell_angle_gamma   41.660
_symmetry_Int_Tables_number   1
_cell_volume   532.464
_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  0.643  0.735  0.880  1.0
  Ba  Ba1  1  0.357  0.265  0.120  1.0
  Ba  Ba2  1  0.265  0.357  0.620  1.0
  Ba  Ba3  1  0.735  0.643  0.380  1.0
  Mn  Mn4  1  0.943  0.057  0.750  1.0
  Mn  Mn5  1  0.057  0.943  0.250  1.0
  Al  Al6  1  0.616  0.619  0.624  1.0
  Al  Al7  1  0.384  0.381  0.376  1.0
  Al  Al8  1  0.381  0.384  0.876  1.0
  Al  Al9  1  0.619  0.616  0.124  1.0
  Co  Co10  1  0.000  0.000  0.500  1.0
  Co  Co11  1  0.000  0.000  0.000  1.0
  F  F12  1  0.340  0.895  0.700  1.0
  F  F13  1  0.660  0.105  0.300  1.0
  F  F14  1  0.105  0.660  0.800  1.0
  F  F15  1  0.895  0.340  0.200  1.0
  F  F16  1  0.659  0.094  0.952  1.0
  F  F17  1  0.341  0.906  0.048  1.0
  F  F18  1  0.906  0.341  0.548  1.0
  F  F19  1  0.094  0.659  0.452  1.0
  F  F20  1  0.395  0.765  0.524  1.0
  F  F21  1  0.605  0.235  0.476  1.0
  F  F22  1  0.235  0.605  0.976  1.0
  F  F23  1  0.765  0.395  0.024  1.0
  F  F24  1  0.541  0.135  0.782  1.0
  F  F25  1  0.459  0.865  0.218  1.0
  F  F26  1  0.865  0.459  0.718  1.0
  F  F27  1  0.135  0.541  0.282  1.0
  F  F28  1  0.585  0.409  0.658  1.0
  F  F29  1  0.415  0.591  0.342  1.0
  F  F30  1  0.591  0.415  0.842  1.0
  F  F31  1  0.409  0.585  0.158  1.0
  F  F32  1  0.882  0.998  0.124  1.0
  F  F33  1  0.118  0.002  0.876  1.0
  F  F34  1  0.002  0.118  0.376  1.0
  F  F35  1  0.998  0.882  0.624  1.0
  F  F36  1  0.681  0.802  0.588  1.0
  F  F37  1  0.319  0.198  0.412  1.0
  F  F38  1  0.198  0.319  0.912  1.0
  F  F39  1  0.802  0.681  0.088  1.0
[/CIF]
.