The material structure described by MoZnF5 crystallizes in the monoclinic P2_1/c space group. Mo(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form MoF6 octahedra that share corners with two equivalent Mo(1)F6 octahedra and corners with four equivalent Zn(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. Zn(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form distorted ZnF4 tetrahedra that share corners with four equivalent Mo(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 17-49°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Mo(1) and one Zn(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Zn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Zn(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mo(1) and one Zn(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_ZnMoF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.383
_cell_length_b   5.368
_cell_length_c   8.008
_cell_angle_alpha   70.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   421.993
_cell_formula_units_Z   4
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
  Zn  Zn0  1  0.989  0.488  0.773  1.0
  Zn  Zn1  1  0.489  0.512  0.727  1.0
  Zn  Zn2  1  0.011  0.512  0.227  1.0
  Zn  Zn3  1  0.511  0.488  0.273  1.0
  Mo  Mo4  1  0.756  0.078  0.616  1.0
  Mo  Mo5  1  0.256  0.922  0.884  1.0
  Mo  Mo6  1  0.244  0.922  0.384  1.0
  Mo  Mo7  1  0.744  0.078  0.116  1.0
  F  F8  1  0.886  0.390  0.591  1.0
  F  F9  1  0.386  0.610  0.909  1.0
  F  F10  1  0.114  0.610  0.409  1.0
  F  F11  1  0.614  0.390  0.091  1.0
  F  F12  1  0.604  0.339  0.508  1.0
  F  F13  1  0.104  0.661  0.992  1.0
  F  F14  1  0.396  0.661  0.492  1.0
  F  F15  1  0.896  0.339  0.008  1.0
  F  F16  1  0.416  0.163  0.785  1.0
  F  F17  1  0.916  0.837  0.715  1.0
  F  F18  1  0.584  0.837  0.215  1.0
  F  F19  1  0.084  0.163  0.285  1.0
  F  F20  1  0.135  0.254  0.836  1.0
  F  F21  1  0.635  0.746  0.664  1.0
  F  F22  1  0.865  0.746  0.164  1.0
  F  F23  1  0.365  0.254  0.336  1.0
  F  F24  1  0.690  0.107  0.858  1.0
  F  F25  1  0.190  0.893  0.642  1.0
  F  F26  1  0.310  0.893  0.142  1.0
  F  F27  1  0.810  0.107  0.358  1.0
[/CIF]
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The material structure described by MoZnF5 crystallizes in the monoclinic P2_1/c space group. Mo(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form MoF6 octahedra that share corners with two equivalent Mo(1)F6 octahedra and corners with four equivalent Zn(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. Zn(1) is bonded to one F(1), one F(2), one F(3), and one F(4) atom to form distorted ZnF4 tetrahedra that share corners with four equivalent Mo(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 17-49°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Mo(1) and one Zn(1) atom. In the second F site, F(2) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Zn(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Zn(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mo(1) and one Zn(1) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to two equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_ZnMoF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.383
_cell_length_b   5.368
_cell_length_c   8.008
_cell_angle_alpha   70.998
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   421.993
_cell_formula_units_Z   4
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
  Zn  Zn0  1  0.989  0.488  0.773  1.0
  Zn  Zn1  1  0.489  0.512  0.727  1.0
  Zn  Zn2  1  0.011  0.512  0.227  1.0
  Zn  Zn3  1  0.511  0.488  0.273  1.0
  Mo  Mo4  1  0.756  0.078  0.616  1.0
  Mo  Mo5  1  0.256  0.922  0.884  1.0
  Mo  Mo6  1  0.244  0.922  0.384  1.0
  Mo  Mo7  1  0.744  0.078  0.116  1.0
  F  F8  1  0.886  0.390  0.591  1.0
  F  F9  1  0.386  0.610  0.909  1.0
  F  F10  1  0.114  0.610  0.409  1.0
  F  F11  1  0.614  0.390  0.091  1.0
  F  F12  1  0.604  0.339  0.508  1.0
  F  F13  1  0.104  0.661  0.992  1.0
  F  F14  1  0.396  0.661  0.492  1.0
  F  F15  1  0.896  0.339  0.008  1.0
  F  F16  1  0.416  0.163  0.785  1.0
  F  F17  1  0.916  0.837  0.715  1.0
  F  F18  1  0.584  0.837  0.215  1.0
  F  F19  1  0.084  0.163  0.285  1.0
  F  F20  1  0.135  0.254  0.836  1.0
  F  F21  1  0.635  0.746  0.664  1.0
  F  F22  1  0.865  0.746  0.164  1.0
  F  F23  1  0.365  0.254  0.336  1.0
  F  F24  1  0.690  0.107  0.858  1.0
  F  F25  1  0.190  0.893  0.642  1.0
  F  F26  1  0.310  0.893  0.142  1.0
  F  F27  1  0.810  0.107  0.358  1.0
[/CIF]
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