The structure described by NaBa2Mn3F11 crystallizes in the trigonal R3c space group. Na(1) is bonded in a body-centered cubic geometry to one F(1), one F(2), three equivalent F(3), and three equivalent F(4) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent F(3), three equivalent F(4), and three equivalent F(5) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to three equivalent F(3), three equivalent F(4), and three equivalent F(5) atoms. Mn(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded to one Na(1) and three equivalent Mn(1) atoms to form distorted FNaMn3 trigonal pyramids that share corners with four equivalent F(2)NaMn3 tetrahedra, corners with six equivalent F(3)Ba2NaMn tetrahedra, corners with six equivalent F(5)Ba2Mn2 trigonal pyramids, and edges with three equivalent F(4)Ba2NaMn tetrahedra. In the second F site, F(2) is bonded to one Na(1) and three equivalent Mn(1) atoms to form FNaMn3 tetrahedra that share corners with six equivalent F(4)Ba2NaMn tetrahedra, corners with four equivalent F(1)NaMn3 trigonal pyramids, edges with three equivalent F(3)Ba2NaMn tetrahedra, and edges with three equivalent F(5)Ba2Mn2 trigonal pyramids. In the third F site, F(3) is bonded to one Na(1), one Ba(1), one Ba(2), and one Mn(1) atom to form distorted FBa2NaMn tetrahedra that share corners with four equivalent F(4)Ba2NaMn tetrahedra, corners with six equivalent F(3)Ba2NaMn tetrahedra, corners with two equivalent F(1)NaMn3 trigonal pyramids, corners with six equivalent F(5)Ba2Mn2 trigonal pyramids,  an edgeedge with one F(2)NaMn3 tetrahedra, edges with three equivalent F(4)Ba2NaMn tetrahedra, and  an edgeedge with one F(5)Ba2Mn2 trigonal pyramid. In the fourth F site, F(4) is bonded to one Na(1), one Ba(1), one Ba(2), and one Mn(1) atom to form distorted FBa2NaMn tetrahedra that share corners with two equivalent F(2)NaMn3 tetrahedra, corners with four equivalent F(3)Ba2NaMn tetrahedra, corners with six equivalent F(4)Ba2NaMn tetrahedra, corners with six equivalent F(5)Ba2Mn2 trigonal pyramids, edges with three equivalent F(3)Ba2NaMn tetrahedra,  an edgeedge with one F(5)Ba2Mn2 trigonal pyramid, and  an edgeedge with one F(1)NaMn3 trigonal pyramid. In the fifth F site, F(5) is bonded to one Ba(1), one Ba(2), and two equivalent Mn(1) atoms to form distorted FBa2Mn2 trigonal pyramids that share corners with six equivalent F(3)Ba2NaMn tetrahedra, corners with six equivalent F(4)Ba2NaMn tetrahedra, corners with two equivalent F(5)Ba2Mn2 trigonal pyramids, corners with two equivalent F(1)NaMn3 trigonal pyramids,  an edgeedge with one F(3)Ba2NaMn tetrahedra,  an edgeedge with one F(4)Ba2NaMn tetrahedra,  an edgeedge with one F(2)NaMn3 tetrahedra, and edges with two equivalent F(5)Ba2Mn2 trigonal pyramids. is represented by the CIF file [CIF]
data_Ba2NaMn3F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.637
_cell_length_b   12.637
_cell_length_c   12.637
_cell_angle_alpha   32.711
_cell_angle_beta   32.711
_cell_angle_gamma   32.711
_symmetry_Int_Tables_number   1
_cell_volume   524.182
_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  0.689  0.689  0.689  1.0
  Ba  Ba1  1  0.189  0.189  0.189  1.0
  Ba  Ba2  1  0.310  0.310  0.310  1.0
  Ba  Ba3  1  0.810  0.810  0.810  1.0
  Na  Na4  1  0.500  0.500  0.500  1.0
  Na  Na5  1  1.000  1.000  1.000  1.0
  Mn  Mn6  1  0.198  0.744  0.307  1.0
  Mn  Mn7  1  0.744  0.307  0.198  1.0
  Mn  Mn8  1  0.307  0.198  0.744  1.0
  Mn  Mn9  1  0.244  0.698  0.807  1.0
  Mn  Mn10  1  0.698  0.807  0.244  1.0
  Mn  Mn11  1  0.807  0.244  0.698  1.0
  F  F12  1  0.574  0.574  0.574  1.0
  F  F13  1  0.074  0.074  0.074  1.0
  F  F14  1  0.430  0.430  0.430  1.0
  F  F15  1  0.930  0.930  0.930  1.0
  F  F16  1  0.338  0.672  0.908  1.0
  F  F17  1  0.672  0.908  0.338  1.0
  F  F18  1  0.908  0.338  0.672  1.0
  F  F19  1  0.172  0.838  0.408  1.0
  F  F20  1  0.838  0.408  0.172  1.0
  F  F21  1  0.408  0.172  0.838  1.0
  F  F22  1  0.675  0.314  0.090  1.0
  F  F23  1  0.314  0.090  0.675  1.0
  F  F24  1  0.090  0.675  0.314  1.0
  F  F25  1  0.814  0.175  0.590  1.0
  F  F26  1  0.175  0.590  0.814  1.0
  F  F27  1  0.590  0.814  0.175  1.0
  F  F28  1  0.509  0.221  0.018  1.0
  F  F29  1  0.221  0.018  0.509  1.0
  F  F30  1  0.018  0.509  0.221  1.0
  F  F31  1  0.721  0.009  0.518  1.0
  F  F32  1  0.009  0.518  0.721  1.0
  F  F33  1  0.518  0.721  0.009  1.0
[/CIF]
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The structure described by NaBa2Mn3F11 crystallizes in the trigonal R3c space group. Na(1) is bonded in a body-centered cubic geometry to one F(1), one F(2), three equivalent F(3), and three equivalent F(4) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 9-coordinate geometry to three equivalent F(3), three equivalent F(4), and three equivalent F(5) atoms. In the second Ba site, Ba(2) is bonded in a 9-coordinate geometry to three equivalent F(3), three equivalent F(4), and three equivalent F(5) atoms. Mn(1) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms. There are five inequivalent F sites. In the first F site, F(1) is bonded to one Na(1) and three equivalent Mn(1) atoms to form distorted FNaMn3 trigonal pyramids that share corners with four equivalent F(2)NaMn3 tetrahedra, corners with six equivalent F(3)Ba2NaMn tetrahedra, corners with six equivalent F(5)Ba2Mn2 trigonal pyramids, and edges with three equivalent F(4)Ba2NaMn tetrahedra. In the second F site, F(2) is bonded to one Na(1) and three equivalent Mn(1) atoms to form FNaMn3 tetrahedra that share corners with six equivalent F(4)Ba2NaMn tetrahedra, corners with four equivalent F(1)NaMn3 trigonal pyramids, edges with three equivalent F(3)Ba2NaMn tetrahedra, and edges with three equivalent F(5)Ba2Mn2 trigonal pyramids. In the third F site, F(3) is bonded to one Na(1), one Ba(1), one Ba(2), and one Mn(1) atom to form distorted FBa2NaMn tetrahedra that share corners with four equivalent F(4)Ba2NaMn tetrahedra, corners with six equivalent F(3)Ba2NaMn tetrahedra, corners with two equivalent F(1)NaMn3 trigonal pyramids, corners with six equivalent F(5)Ba2Mn2 trigonal pyramids,  an edgeedge with one F(2)NaMn3 tetrahedra, edges with three equivalent F(4)Ba2NaMn tetrahedra, and  an edgeedge with one F(5)Ba2Mn2 trigonal pyramid. In the fourth F site, F(4) is bonded to one Na(1), one Ba(1), one Ba(2), and one Mn(1) atom to form distorted FBa2NaMn tetrahedra that share corners with two equivalent F(2)NaMn3 tetrahedra, corners with four equivalent F(3)Ba2NaMn tetrahedra, corners with six equivalent F(4)Ba2NaMn tetrahedra, corners with six equivalent F(5)Ba2Mn2 trigonal pyramids, edges with three equivalent F(3)Ba2NaMn tetrahedra,  an edgeedge with one F(5)Ba2Mn2 trigonal pyramid, and  an edgeedge with one F(1)NaMn3 trigonal pyramid. In the fifth F site, F(5) is bonded to one Ba(1), one Ba(2), and two equivalent Mn(1) atoms to form distorted FBa2Mn2 trigonal pyramids that share corners with six equivalent F(3)Ba2NaMn tetrahedra, corners with six equivalent F(4)Ba2NaMn tetrahedra, corners with two equivalent F(5)Ba2Mn2 trigonal pyramids, corners with two equivalent F(1)NaMn3 trigonal pyramids,  an edgeedge with one F(3)Ba2NaMn tetrahedra,  an edgeedge with one F(4)Ba2NaMn tetrahedra,  an edgeedge with one F(2)NaMn3 tetrahedra, and edges with two equivalent F(5)Ba2Mn2 trigonal pyramids. is represented by the CIF file [CIF]
data_Ba2NaMn3F11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.637
_cell_length_b   12.637
_cell_length_c   12.637
_cell_angle_alpha   32.711
_cell_angle_beta   32.711
_cell_angle_gamma   32.711
_symmetry_Int_Tables_number   1
_cell_volume   524.182
_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  0.689  0.689  0.689  1.0
  Ba  Ba1  1  0.189  0.189  0.189  1.0
  Ba  Ba2  1  0.310  0.310  0.310  1.0
  Ba  Ba3  1  0.810  0.810  0.810  1.0
  Na  Na4  1  0.500  0.500  0.500  1.0
  Na  Na5  1  1.000  1.000  1.000  1.0
  Mn  Mn6  1  0.198  0.744  0.307  1.0
  Mn  Mn7  1  0.744  0.307  0.198  1.0
  Mn  Mn8  1  0.307  0.198  0.744  1.0
  Mn  Mn9  1  0.244  0.698  0.807  1.0
  Mn  Mn10  1  0.698  0.807  0.244  1.0
  Mn  Mn11  1  0.807  0.244  0.698  1.0
  F  F12  1  0.574  0.574  0.574  1.0
  F  F13  1  0.074  0.074  0.074  1.0
  F  F14  1  0.430  0.430  0.430  1.0
  F  F15  1  0.930  0.930  0.930  1.0
  F  F16  1  0.338  0.672  0.908  1.0
  F  F17  1  0.672  0.908  0.338  1.0
  F  F18  1  0.908  0.338  0.672  1.0
  F  F19  1  0.172  0.838  0.408  1.0
  F  F20  1  0.838  0.408  0.172  1.0
  F  F21  1  0.408  0.172  0.838  1.0
  F  F22  1  0.675  0.314  0.090  1.0
  F  F23  1  0.314  0.090  0.675  1.0
  F  F24  1  0.090  0.675  0.314  1.0
  F  F25  1  0.814  0.175  0.590  1.0
  F  F26  1  0.175  0.590  0.814  1.0
  F  F27  1  0.590  0.814  0.175  1.0
  F  F28  1  0.509  0.221  0.018  1.0
  F  F29  1  0.221  0.018  0.509  1.0
  F  F30  1  0.018  0.509  0.221  1.0
  F  F31  1  0.721  0.009  0.518  1.0
  F  F32  1  0.009  0.518  0.721  1.0
  F  F33  1  0.518  0.721  0.009  1.0
[/CIF]
.