The material described by Na5Zr2MnF15 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a body-centered cubic geometry to two equivalent F(1), two equivalent F(4), and four equivalent F(2) atoms. In the second Na site, Na(2) is bonded to one F(1), one F(3), one F(4), one F(5), two equivalent F(2), and two equivalent F(6) atoms to form distorted NaF8 hexagonal bipyramids that share  a cornercorner with one Na(2)F8 hexagonal bipyramid,  a cornercorner with one Zr(1)F7 pentagonal bipyramid, edges with two equivalent Mn(1)F6 octahedra, and edges with three equivalent Zr(1)F7 pentagonal bipyramids. In the third Na site, Na(3) is bonded in a distorted body-centered cubic geometry to four equivalent F(3) and four equivalent F(6) atoms. Zr(1) is bonded to one F(1), one F(3), one F(4), two equivalent F(2), and two equivalent F(6) atoms to form distorted ZrF7 pentagonal bipyramids that share  a cornercorner with one Na(2)F8 hexagonal bipyramid, corners with two equivalent Mn(1)F6 octahedra, and edges with three equivalent Na(2)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. Mn(1) is bonded to two equivalent F(5) and four equivalent F(6) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with four equivalent Zr(1)F7 pentagonal bipyramids, and edges with four equivalent Na(2)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Na(2), two equivalent Na(1), and one Zr(1) atom to form a mixture of corner and edge-sharing FNa3Zr tetrahedra. In the second F site, F(2) is bonded to one Na(2), two equivalent Na(1), and one Zr(1) atom to form a mixture of corner and edge-sharing FNa3Zr tetrahedra. In the third F site, F(3) is bonded to one Na(2), two equivalent Na(3), and one Zr(1) atom to form a mixture of corner and edge-sharing FNa3Zr tetrahedra. In the fourth F site, F(4) is bonded to one Na(2), two equivalent Na(1), and one Zr(1) atom to form a mixture of distorted corner and edge-sharing FNa3Zr trigonal pyramids. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to two equivalent Na(2) and two equivalent Mn(1) atoms. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Zr(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Na5Zr2MnF15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.439
_cell_length_b   11.439
_cell_length_c   7.604
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   140.106
_symmetry_Int_Tables_number   1
_cell_volume   638.186
_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
  Na  Na0  1  0.242  0.758  0.000  1.0
  Na  Na1  1  0.242  0.758  0.500  1.0
  Na  Na2  1  0.758  0.242  0.000  1.0
  Na  Na3  1  0.758  0.242  0.500  1.0
  Na  Na4  1  0.631  0.878  0.250  1.0
  Na  Na5  1  0.122  0.369  0.750  1.0
  Na  Na6  1  0.369  0.122  0.750  1.0
  Na  Na7  1  0.878  0.631  0.250  1.0
  Na  Na8  1  0.500  0.500  0.000  1.0
  Na  Na9  1  0.500  0.500  0.500  1.0
  Zr  Zr10  1  0.414  0.143  0.250  1.0
  Zr  Zr11  1  0.857  0.586  0.750  1.0
  Zr  Zr12  1  0.586  0.857  0.750  1.0
  Zr  Zr13  1  0.143  0.414  0.250  1.0
  Mn  Mn14  1  0.000  0.000  0.000  1.0
  Mn  Mn15  1  0.000  0.000  0.500  1.0
  F  F16  1  0.318  0.707  0.750  1.0
  F  F17  1  0.293  0.682  0.250  1.0
  F  F18  1  0.682  0.293  0.250  1.0
  F  F19  1  0.707  0.318  0.750  1.0
  F  F20  1  0.444  0.077  0.486  1.0
  F  F21  1  0.923  0.556  0.514  1.0
  F  F22  1  0.444  0.077  0.014  1.0
  F  F23  1  0.923  0.556  0.986  1.0
  F  F24  1  0.556  0.923  0.514  1.0
  F  F25  1  0.077  0.444  0.486  1.0
  F  F26  1  0.556  0.923  0.986  1.0
  F  F27  1  0.077  0.444  0.014  1.0
  F  F28  1  0.582  0.436  0.750  1.0
  F  F29  1  0.564  0.418  0.250  1.0
  F  F30  1  0.418  0.564  0.250  1.0
  F  F31  1  0.436  0.582  0.750  1.0
  F  F32  1  0.814  0.139  0.750  1.0
  F  F33  1  0.861  0.186  0.250  1.0
  F  F34  1  0.186  0.861  0.250  1.0
  F  F35  1  0.139  0.814  0.750  1.0
  F  F36  1  0.110  0.110  0.750  1.0
  F  F37  1  0.890  0.890  0.250  1.0
  F  F38  1  0.733  0.866  0.935  1.0
  F  F39  1  0.134  0.267  0.065  1.0
  F  F40  1  0.733  0.866  0.565  1.0
  F  F41  1  0.134  0.267  0.435  1.0
  F  F42  1  0.267  0.134  0.065  1.0
  F  F43  1  0.866  0.733  0.935  1.0
  F  F44  1  0.267  0.134  0.435  1.0
  F  F45  1  0.866  0.733  0.565  1.0
[/CIF]
.
The material described by Na5Zr2MnF15 crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Na sites. In the first Na site, Na(1) is bonded in a body-centered cubic geometry to two equivalent F(1), two equivalent F(4), and four equivalent F(2) atoms. In the second Na site, Na(2) is bonded to one F(1), one F(3), one F(4), one F(5), two equivalent F(2), and two equivalent F(6) atoms to form distorted NaF8 hexagonal bipyramids that share  a cornercorner with one Na(2)F8 hexagonal bipyramid,  a cornercorner with one Zr(1)F7 pentagonal bipyramid, edges with two equivalent Mn(1)F6 octahedra, and edges with three equivalent Zr(1)F7 pentagonal bipyramids. In the third Na site, Na(3) is bonded in a distorted body-centered cubic geometry to four equivalent F(3) and four equivalent F(6) atoms. Zr(1) is bonded to one F(1), one F(3), one F(4), two equivalent F(2), and two equivalent F(6) atoms to form distorted ZrF7 pentagonal bipyramids that share  a cornercorner with one Na(2)F8 hexagonal bipyramid, corners with two equivalent Mn(1)F6 octahedra, and edges with three equivalent Na(2)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 36°. Mn(1) is bonded to two equivalent F(5) and four equivalent F(6) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with four equivalent Zr(1)F7 pentagonal bipyramids, and edges with four equivalent Na(2)F8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 49°. There are six inequivalent F sites. In the first F site, F(1) is bonded to one Na(2), two equivalent Na(1), and one Zr(1) atom to form a mixture of corner and edge-sharing FNa3Zr tetrahedra. In the second F site, F(2) is bonded to one Na(2), two equivalent Na(1), and one Zr(1) atom to form a mixture of corner and edge-sharing FNa3Zr tetrahedra. In the third F site, F(3) is bonded to one Na(2), two equivalent Na(3), and one Zr(1) atom to form a mixture of corner and edge-sharing FNa3Zr tetrahedra. In the fourth F site, F(4) is bonded to one Na(2), two equivalent Na(1), and one Zr(1) atom to form a mixture of distorted corner and edge-sharing FNa3Zr trigonal pyramids. In the fifth F site, F(5) is bonded in a 2-coordinate geometry to two equivalent Na(2) and two equivalent Mn(1) atoms. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Na(2), one Na(3), one Zr(1), and one Mn(1) atom. is represented by the CIF card [CIF]
data_Na5Zr2MnF15
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.439
_cell_length_b   11.439
_cell_length_c   7.604
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   140.106
_symmetry_Int_Tables_number   1
_cell_volume   638.186
_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
  Na  Na0  1  0.242  0.758  0.000  1.0
  Na  Na1  1  0.242  0.758  0.500  1.0
  Na  Na2  1  0.758  0.242  0.000  1.0
  Na  Na3  1  0.758  0.242  0.500  1.0
  Na  Na4  1  0.631  0.878  0.250  1.0
  Na  Na5  1  0.122  0.369  0.750  1.0
  Na  Na6  1  0.369  0.122  0.750  1.0
  Na  Na7  1  0.878  0.631  0.250  1.0
  Na  Na8  1  0.500  0.500  0.000  1.0
  Na  Na9  1  0.500  0.500  0.500  1.0
  Zr  Zr10  1  0.414  0.143  0.250  1.0
  Zr  Zr11  1  0.857  0.586  0.750  1.0
  Zr  Zr12  1  0.586  0.857  0.750  1.0
  Zr  Zr13  1  0.143  0.414  0.250  1.0
  Mn  Mn14  1  0.000  0.000  0.000  1.0
  Mn  Mn15  1  0.000  0.000  0.500  1.0
  F  F16  1  0.318  0.707  0.750  1.0
  F  F17  1  0.293  0.682  0.250  1.0
  F  F18  1  0.682  0.293  0.250  1.0
  F  F19  1  0.707  0.318  0.750  1.0
  F  F20  1  0.444  0.077  0.486  1.0
  F  F21  1  0.923  0.556  0.514  1.0
  F  F22  1  0.444  0.077  0.014  1.0
  F  F23  1  0.923  0.556  0.986  1.0
  F  F24  1  0.556  0.923  0.514  1.0
  F  F25  1  0.077  0.444  0.486  1.0
  F  F26  1  0.556  0.923  0.986  1.0
  F  F27  1  0.077  0.444  0.014  1.0
  F  F28  1  0.582  0.436  0.750  1.0
  F  F29  1  0.564  0.418  0.250  1.0
  F  F30  1  0.418  0.564  0.250  1.0
  F  F31  1  0.436  0.582  0.750  1.0
  F  F32  1  0.814  0.139  0.750  1.0
  F  F33  1  0.861  0.186  0.250  1.0
  F  F34  1  0.186  0.861  0.250  1.0
  F  F35  1  0.139  0.814  0.750  1.0
  F  F36  1  0.110  0.110  0.750  1.0
  F  F37  1  0.890  0.890  0.250  1.0
  F  F38  1  0.733  0.866  0.935  1.0
  F  F39  1  0.134  0.267  0.065  1.0
  F  F40  1  0.733  0.866  0.565  1.0
  F  F41  1  0.134  0.267  0.435  1.0
  F  F42  1  0.267  0.134  0.065  1.0
  F  F43  1  0.866  0.733  0.935  1.0
  F  F44  1  0.267  0.134  0.435  1.0
  F  F45  1  0.866  0.733  0.565  1.0
[/CIF]
.