The material described by Ba2Mn2CuF14 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. Mn(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 MnF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. Cu(1) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(7) atoms to form distorted CuF6 octahedra that share corners with four equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. There are seven inequivalent F sites. In the first F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Mn(1), and one Cu(1) atom. In the second F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Mn(1) atom. In the third F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Mn(1), and one Cu(1) atom. In the fourth F site, F(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Mn(1) atom. In the fifth F site, F(4) is bonded in a bent 120 degrees geometry to one Ba(1) and one Cu(1) atom. In the sixth F site, F(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Mn(1) atom. In the seventh F site, F(6) is bonded in a single-bond geometry to one Ba(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_Ba2Mn2CuF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.578
_cell_length_b   7.578
_cell_length_c   15.110
_cell_angle_alpha   89.389
_cell_angle_beta   89.389
_cell_angle_gamma   41.524
_symmetry_Int_Tables_number   1
_cell_volume   575.201
_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  0.753  0.893  0.627  1.0
  Ba  Ba1  1  0.893  0.753  0.127  1.0
  Ba  Ba2  1  0.247  0.107  0.373  1.0
  Ba  Ba3  1  0.107  0.247  0.873  1.0
  Mn  Mn4  1  0.855  0.895  0.874  1.0
  Mn  Mn5  1  0.145  0.105  0.126  1.0
  Mn  Mn6  1  0.895  0.855  0.374  1.0
  Mn  Mn7  1  0.105  0.145  0.626  1.0
  Cu  Cu8  1  0.500  0.500  0.000  1.0
  Cu  Cu9  1  0.500  0.500  0.500  1.0
  F  F10  1  0.932  0.060  0.348  1.0
  F  F11  1  0.608  0.115  0.451  1.0
  F  F12  1  0.392  0.885  0.549  1.0
  F  F13  1  0.148  0.347  0.590  1.0
  F  F14  1  0.486  0.385  0.605  1.0
  F  F15  1  0.615  0.514  0.895  1.0
  F  F16  1  0.115  0.608  0.951  1.0
  F  F17  1  0.940  0.068  0.152  1.0
  F  F18  1  0.007  0.645  0.785  1.0
  F  F19  1  0.852  0.653  0.410  1.0
  F  F20  1  0.593  0.156  0.797  1.0
  F  F21  1  0.653  0.852  0.910  1.0
  F  F22  1  0.156  0.593  0.297  1.0
  F  F23  1  0.407  0.844  0.203  1.0
  F  F24  1  0.385  0.486  0.105  1.0
  F  F25  1  0.993  0.355  0.215  1.0
  F  F26  1  0.294  0.877  0.026  1.0
  F  F27  1  0.068  0.940  0.652  1.0
  F  F28  1  0.706  0.123  0.974  1.0
  F  F29  1  0.877  0.294  0.526  1.0
  F  F30  1  0.885  0.392  0.049  1.0
  F  F31  1  0.844  0.407  0.703  1.0
  F  F32  1  0.645  0.007  0.285  1.0
  F  F33  1  0.123  0.706  0.474  1.0
  F  F34  1  0.514  0.615  0.395  1.0
  F  F35  1  0.060  0.932  0.848  1.0
  F  F36  1  0.355  0.993  0.715  1.0
  F  F37  1  0.347  0.148  0.090  1.0
[/CIF]
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The material described by Ba2Mn2CuF14 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. Mn(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 MnF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. Cu(1) is bonded to two equivalent F(2), two equivalent F(4), and two equivalent F(7) atoms to form distorted CuF6 octahedra that share corners with four equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 41-58°. There are seven inequivalent F sites. In the first F site, F(7) is bonded in a distorted bent 150 degrees geometry to one Ba(1), one Mn(1), and one Cu(1) atom. In the second F site, F(1) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one Mn(1) atom. In the third F site, F(2) is bonded in a distorted single-bond geometry to two equivalent Ba(1), one Mn(1), and one Cu(1) atom. In the fourth F site, F(3) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Mn(1) atom. In the fifth F site, F(4) is bonded in a bent 120 degrees geometry to one Ba(1) and one Cu(1) atom. In the sixth F site, F(5) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Mn(1) atom. In the seventh F site, F(6) is bonded in a single-bond geometry to one Ba(1) and one Mn(1) atom. is represented by the CIF file [CIF]
data_Ba2Mn2CuF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.578
_cell_length_b   7.578
_cell_length_c   15.110
_cell_angle_alpha   89.389
_cell_angle_beta   89.389
_cell_angle_gamma   41.524
_symmetry_Int_Tables_number   1
_cell_volume   575.201
_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  0.753  0.893  0.627  1.0
  Ba  Ba1  1  0.893  0.753  0.127  1.0
  Ba  Ba2  1  0.247  0.107  0.373  1.0
  Ba  Ba3  1  0.107  0.247  0.873  1.0
  Mn  Mn4  1  0.855  0.895  0.874  1.0
  Mn  Mn5  1  0.145  0.105  0.126  1.0
  Mn  Mn6  1  0.895  0.855  0.374  1.0
  Mn  Mn7  1  0.105  0.145  0.626  1.0
  Cu  Cu8  1  0.500  0.500  0.000  1.0
  Cu  Cu9  1  0.500  0.500  0.500  1.0
  F  F10  1  0.932  0.060  0.348  1.0
  F  F11  1  0.608  0.115  0.451  1.0
  F  F12  1  0.392  0.885  0.549  1.0
  F  F13  1  0.148  0.347  0.590  1.0
  F  F14  1  0.486  0.385  0.605  1.0
  F  F15  1  0.615  0.514  0.895  1.0
  F  F16  1  0.115  0.608  0.951  1.0
  F  F17  1  0.940  0.068  0.152  1.0
  F  F18  1  0.007  0.645  0.785  1.0
  F  F19  1  0.852  0.653  0.410  1.0
  F  F20  1  0.593  0.156  0.797  1.0
  F  F21  1  0.653  0.852  0.910  1.0
  F  F22  1  0.156  0.593  0.297  1.0
  F  F23  1  0.407  0.844  0.203  1.0
  F  F24  1  0.385  0.486  0.105  1.0
  F  F25  1  0.993  0.355  0.215  1.0
  F  F26  1  0.294  0.877  0.026  1.0
  F  F27  1  0.068  0.940  0.652  1.0
  F  F28  1  0.706  0.123  0.974  1.0
  F  F29  1  0.877  0.294  0.526  1.0
  F  F30  1  0.885  0.392  0.049  1.0
  F  F31  1  0.844  0.407  0.703  1.0
  F  F32  1  0.645  0.007  0.285  1.0
  F  F33  1  0.123  0.706  0.474  1.0
  F  F34  1  0.514  0.615  0.395  1.0
  F  F35  1  0.060  0.932  0.848  1.0
  F  F36  1  0.355  0.993  0.715  1.0
  F  F37  1  0.347  0.148  0.090  1.0
[/CIF]
.