The material described by Ba2MgMn2CuF14 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one F(11), one F(18), one F(2), one F(24), one F(27), one F(3), one F(5), one F(9), and two equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one F(13), one F(15), one F(16), one F(19), one F(21), one F(23), one F(7), one F(8), and two equivalent F(28) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one F(1), one F(14), one F(16), one F(2), one F(20), one F(23), one F(25), one F(3), and two equivalent F(10) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one F(17), one F(21), one F(22), one F(26), one F(27), one F(6), one F(7), one F(9), and two equivalent F(12) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to one F(11), one F(18), one F(22), one F(26), one F(27), one F(5), one F(6), and one F(9) atom. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to one F(1), one F(13), one F(14), one F(15), one F(16), one F(23), one F(25), and one F(8) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(11), one F(12), one F(19), one F(26), one F(7), and one F(9) atom to form MnF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. In the second Mn site, Mn(2) is bonded to one F(14), one F(16), one F(17), one F(21), one F(28), and one F(8) atom to form MnF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. In the third Mn site, Mn(3) is bonded to one F(1), one F(10), one F(13), one F(2), one F(23), and one F(24) atom to form MnF6 octahedra that share corners with two equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. In the fourth Mn site, Mn(4) is bonded to one F(18), one F(20), one F(22), one F(27), one F(3), and one F(4) atom to form MnF6 octahedra that share corners with two equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(15), one F(17), one F(19), one F(21), one F(6), and one F(7) atom to form distorted CuF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra and corners with two equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. In the second Cu site, Cu(2) is bonded to one F(2), one F(20), one F(24), one F(25), one F(3), and one F(5) atom to form distorted CuF6 octahedra that share corners with two equivalent Mn(3)F6 octahedra and corners with two equivalent Mn(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. There are twenty-eight inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ba(3), one Mg(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), one Mn(3), and one Cu(2) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), one Mn(4), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Mn(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mg(1), and one Cu(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Ba(4), one Mg(1), and one Cu(1) atom. In the seventh F site, F(7) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(4), one Mn(1), and one Cu(1) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one Ba(2), one Mg(2), and one Mn(2) atom. In the ninth F site, F(9) is bonded in a distorted trigonal pyramidal geometry to one Ba(1), one Ba(4), one Mg(1), and one Mn(1) atom. In the tenth F site, F(10) is bonded in a distorted single-bond geometry to two equivalent Ba(3) and one Mn(3) atom. In the eleventh F site, F(11) is bonded in a 2-coordinate geometry to one Ba(1), one Mg(1), and one Mn(1) atom. In the twelfth F site, F(12) is bonded in a distorted single-bond geometry to two equivalent Ba(4) and one Mn(1) atom. In the thirteenth F site, F(13) is bonded in a 2-coordinate geometry to one Ba(2), one Mg(2), and one Mn(3) atom. In the fourteenth F site, F(14) is bonded in a 2-coordinate geometry to one Ba(3), one Mg(2), and one Mn(2) atom. In the fifteenth F site, F(15) is bonded in a distorted trigonal planar geometry to one Ba(2), one Mg(2), and one Cu(1) atom. In the sixteenth F site, F(16) is bonded to one Ba(2), one Ba(3), one Mg(2), and one Mn(2) atom to form distorted corner-sharing FBa2MgMn trigonal pyramids. In the seventeenth F site, F(17) is bonded in a 2-coordinate geometry to one Ba(4), one Mn(2), and one Cu(1) atom. In the eighteenth F site, F(18) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one Mn(4) atom. In the nineteenth F site, F(19) is bonded in a 3-coordinate geometry to one Ba(2), one Mn(1), and one Cu(1) atom. In the twentieth F site, F(20) is bonded in a 2-coordinate geometry to one Ba(3), one Mn(4), and one Cu(2) atom. In the twenty-first F site, F(21) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(4), one Mn(2), and one Cu(1) atom. In the twenty-second F site, F(22) is bonded in a 2-coordinate geometry to one Ba(4), one Mg(1), and one Mn(4) atom. In the twenty-third F site, F(23) is bonded to one Ba(2), one Ba(3), one Mg(2), and one Mn(3) atom to form distorted corner-sharing FBa2MgMn trigonal pyramids. In the twenty-fourth F site, F(24) is bonded in a 2-coordinate geometry to one Ba(1), one Mn(3), and one Cu(2) atom. In the twenty-fifth F site, F(25) is bonded in a distorted trigonal planar geometry to one Ba(3), one Mg(2), and one Cu(2) atom. In the twenty-sixth F site, F(26) is bonded in a 3-coordinate geometry to one Ba(4), one Mg(1), and one Mn(1) atom. In the twenty-seventh F site, F(27) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Mg(1), and one Mn(4) atom. In the twenty-eighth F site, F(28) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one Mn(2) atom. is represented by the CIF file [CIF]
data_Ba2MgMn2CuF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.332
_cell_length_b   7.475
_cell_length_c   14.836
_cell_angle_alpha   93.599
_cell_angle_beta   89.926
_cell_angle_gamma   110.863
_symmetry_Int_Tables_number   1
_cell_volume   551.284
_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  0.111  0.370  0.627  1.0
  Ba  Ba1  1  0.260  0.369  0.127  1.0
  Ba  Ba2  1  0.891  0.632  0.374  1.0
  Ba  Ba3  1  0.741  0.632  0.873  1.0
  Mg  Mg4  1  0.436  0.005  0.750  1.0
  Mg  Mg5  1  0.566  0.001  0.250  1.0
  Mn  Mn6  1  0.099  0.238  0.874  1.0
  Mn  Mn7  1  0.903  0.762  0.126  1.0
  Mn  Mn8  1  0.142  0.239  0.374  1.0
  Mn  Mn9  1  0.860  0.763  0.626  1.0
  Cu  Cu10  1  0.501  1.000  1.000  1.0
  Cu  Cu11  1  0.501  0.002  0.500  1.0
  F  F12  1  0.901  0.994  0.338  1.0
  F  F13  1  0.880  0.285  0.454  1.0
  F  F14  1  0.121  0.718  0.546  1.0
  F  F15  1  0.648  0.507  0.597  1.0
  F  F16  1  0.604  0.097  0.625  1.0
  F  F17  1  0.511  0.908  0.875  1.0
  F  F18  1  0.404  0.284  0.954  1.0
  F  F19  1  0.905  0.007  0.163  1.0
  F  F20  1  0.384  0.321  0.771  1.0
  F  F21  1  0.352  0.495  0.402  1.0
  F  F22  1  0.814  0.218  0.789  1.0
  F  F23  1  0.145  0.495  0.901  1.0
  F  F24  1  0.411  0.219  0.290  1.0
  F  F25  1  0.191  0.783  0.211  1.0
  F  F26  1  0.491  0.093  0.125  1.0
  F  F27  1  0.621  0.674  0.229  1.0
  F  F28  1  0.129  0.839  0.010  1.0
  F  F29  1  0.102  0.008  0.662  1.0
  F  F30  1  0.872  0.161  0.990  1.0
  F  F31  1  0.713  0.843  0.511  1.0
  F  F32  1  0.598  0.717  0.046  1.0
  F  F33  1  0.591  0.784  0.710  1.0
  F  F34  1  0.948  0.326  0.271  1.0
  F  F35  1  0.289  0.161  0.489  1.0
  F  F36  1  0.399  0.907  0.375  1.0
  F  F37  1  0.095  0.992  0.838  1.0
  F  F38  1  0.052  0.674  0.729  1.0
  F  F39  1  0.858  0.506  0.098  1.0
[/CIF]
.
The material described by Ba2MgMn2CuF14 crystallizes in the triclinic P1 space group. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one F(11), one F(18), one F(2), one F(24), one F(27), one F(3), one F(5), one F(9), and two equivalent F(4) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one F(13), one F(15), one F(16), one F(19), one F(21), one F(23), one F(7), one F(8), and two equivalent F(28) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to one F(1), one F(14), one F(16), one F(2), one F(20), one F(23), one F(25), one F(3), and two equivalent F(10) atoms. In the fourth Ba site, Ba(4) is bonded in a 10-coordinate geometry to one F(17), one F(21), one F(22), one F(26), one F(27), one F(6), one F(7), one F(9), and two equivalent F(12) atoms. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 8-coordinate geometry to one F(11), one F(18), one F(22), one F(26), one F(27), one F(5), one F(6), and one F(9) atom. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to one F(1), one F(13), one F(14), one F(15), one F(16), one F(23), one F(25), and one F(8) atom. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(11), one F(12), one F(19), one F(26), one F(7), and one F(9) atom to form MnF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. In the second Mn site, Mn(2) is bonded to one F(14), one F(16), one F(17), one F(21), one F(28), and one F(8) atom to form MnF6 octahedra that share corners with two equivalent Cu(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. In the third Mn site, Mn(3) is bonded to one F(1), one F(10), one F(13), one F(2), one F(23), and one F(24) atom to form MnF6 octahedra that share corners with two equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. In the fourth Mn site, Mn(4) is bonded to one F(18), one F(20), one F(22), one F(27), one F(3), and one F(4) atom to form MnF6 octahedra that share corners with two equivalent Cu(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one F(15), one F(17), one F(19), one F(21), one F(6), and one F(7) atom to form distorted CuF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra and corners with two equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 51-62°. In the second Cu site, Cu(2) is bonded to one F(2), one F(20), one F(24), one F(25), one F(3), and one F(5) atom to form distorted CuF6 octahedra that share corners with two equivalent Mn(3)F6 octahedra and corners with two equivalent Mn(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. There are twenty-eight inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Ba(3), one Mg(2), and one Mn(3) atom. In the second F site, F(2) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), one Mn(3), and one Cu(2) atom. In the third F site, F(3) is bonded in a distorted single-bond geometry to one Ba(1), one Ba(3), one Mn(4), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one Mn(4) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Ba(1), one Mg(1), and one Cu(2) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Ba(4), one Mg(1), and one Cu(1) atom. In the seventh F site, F(7) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(4), one Mn(1), and one Cu(1) atom. In the eighth F site, F(8) is bonded in a 3-coordinate geometry to one Ba(2), one Mg(2), and one Mn(2) atom. In the ninth F site, F(9) is bonded in a distorted trigonal pyramidal geometry to one Ba(1), one Ba(4), one Mg(1), and one Mn(1) atom. In the tenth F site, F(10) is bonded in a distorted single-bond geometry to two equivalent Ba(3) and one Mn(3) atom. In the eleventh F site, F(11) is bonded in a 2-coordinate geometry to one Ba(1), one Mg(1), and one Mn(1) atom. In the twelfth F site, F(12) is bonded in a distorted single-bond geometry to two equivalent Ba(4) and one Mn(1) atom. In the thirteenth F site, F(13) is bonded in a 2-coordinate geometry to one Ba(2), one Mg(2), and one Mn(3) atom. In the fourteenth F site, F(14) is bonded in a 2-coordinate geometry to one Ba(3), one Mg(2), and one Mn(2) atom. In the fifteenth F site, F(15) is bonded in a distorted trigonal planar geometry to one Ba(2), one Mg(2), and one Cu(1) atom. In the sixteenth F site, F(16) is bonded to one Ba(2), one Ba(3), one Mg(2), and one Mn(2) atom to form distorted corner-sharing FBa2MgMn trigonal pyramids. In the seventeenth F site, F(17) is bonded in a 2-coordinate geometry to one Ba(4), one Mn(2), and one Cu(1) atom. In the eighteenth F site, F(18) is bonded in a 3-coordinate geometry to one Ba(1), one Mg(1), and one Mn(4) atom. In the nineteenth F site, F(19) is bonded in a 3-coordinate geometry to one Ba(2), one Mn(1), and one Cu(1) atom. In the twentieth F site, F(20) is bonded in a 2-coordinate geometry to one Ba(3), one Mn(4), and one Cu(2) atom. In the twenty-first F site, F(21) is bonded in a distorted single-bond geometry to one Ba(2), one Ba(4), one Mn(2), and one Cu(1) atom. In the twenty-second F site, F(22) is bonded in a 2-coordinate geometry to one Ba(4), one Mg(1), and one Mn(4) atom. In the twenty-third F site, F(23) is bonded to one Ba(2), one Ba(3), one Mg(2), and one Mn(3) atom to form distorted corner-sharing FBa2MgMn trigonal pyramids. In the twenty-fourth F site, F(24) is bonded in a 2-coordinate geometry to one Ba(1), one Mn(3), and one Cu(2) atom. In the twenty-fifth F site, F(25) is bonded in a distorted trigonal planar geometry to one Ba(3), one Mg(2), and one Cu(2) atom. In the twenty-sixth F site, F(26) is bonded in a 3-coordinate geometry to one Ba(4), one Mg(1), and one Mn(1) atom. In the twenty-seventh F site, F(27) is bonded in a 4-coordinate geometry to one Ba(1), one Ba(4), one Mg(1), and one Mn(4) atom. In the twenty-eighth F site, F(28) is bonded in a distorted single-bond geometry to two equivalent Ba(2) and one Mn(2) atom. is represented by the CIF file [CIF]
data_Ba2MgMn2CuF14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.332
_cell_length_b   7.475
_cell_length_c   14.836
_cell_angle_alpha   93.599
_cell_angle_beta   89.926
_cell_angle_gamma   110.863
_symmetry_Int_Tables_number   1
_cell_volume   551.284
_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  0.111  0.370  0.627  1.0
  Ba  Ba1  1  0.260  0.369  0.127  1.0
  Ba  Ba2  1  0.891  0.632  0.374  1.0
  Ba  Ba3  1  0.741  0.632  0.873  1.0
  Mg  Mg4  1  0.436  0.005  0.750  1.0
  Mg  Mg5  1  0.566  0.001  0.250  1.0
  Mn  Mn6  1  0.099  0.238  0.874  1.0
  Mn  Mn7  1  0.903  0.762  0.126  1.0
  Mn  Mn8  1  0.142  0.239  0.374  1.0
  Mn  Mn9  1  0.860  0.763  0.626  1.0
  Cu  Cu10  1  0.501  1.000  1.000  1.0
  Cu  Cu11  1  0.501  0.002  0.500  1.0
  F  F12  1  0.901  0.994  0.338  1.0
  F  F13  1  0.880  0.285  0.454  1.0
  F  F14  1  0.121  0.718  0.546  1.0
  F  F15  1  0.648  0.507  0.597  1.0
  F  F16  1  0.604  0.097  0.625  1.0
  F  F17  1  0.511  0.908  0.875  1.0
  F  F18  1  0.404  0.284  0.954  1.0
  F  F19  1  0.905  0.007  0.163  1.0
  F  F20  1  0.384  0.321  0.771  1.0
  F  F21  1  0.352  0.495  0.402  1.0
  F  F22  1  0.814  0.218  0.789  1.0
  F  F23  1  0.145  0.495  0.901  1.0
  F  F24  1  0.411  0.219  0.290  1.0
  F  F25  1  0.191  0.783  0.211  1.0
  F  F26  1  0.491  0.093  0.125  1.0
  F  F27  1  0.621  0.674  0.229  1.0
  F  F28  1  0.129  0.839  0.010  1.0
  F  F29  1  0.102  0.008  0.662  1.0
  F  F30  1  0.872  0.161  0.990  1.0
  F  F31  1  0.713  0.843  0.511  1.0
  F  F32  1  0.598  0.717  0.046  1.0
  F  F33  1  0.591  0.784  0.710  1.0
  F  F34  1  0.948  0.326  0.271  1.0
  F  F35  1  0.289  0.161  0.489  1.0
  F  F36  1  0.399  0.907  0.375  1.0
  F  F37  1  0.095  0.992  0.838  1.0
  F  F38  1  0.052  0.674  0.729  1.0
  F  F39  1  0.858  0.506  0.098  1.0
[/CIF]
.