The compound described by MgMoF5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 6-coordinate geometry to one F(1), one F(3), one F(4), one F(5), and two equivalent F(2) atoms. 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 corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Mo(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mg(1) and one Mo(1) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMoF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.252
_cell_length_b   5.300
_cell_length_c   7.871
_cell_angle_alpha   71.661
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   405.940
_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
  Mg  Mg0  1  0.002  0.509  0.285  1.0
  Mg  Mg1  1  0.502  0.491  0.215  1.0
  Mg  Mg2  1  0.998  0.491  0.715  1.0
  Mg  Mg3  1  0.498  0.509  0.785  1.0
  Mo  Mo4  1  0.758  0.095  0.122  1.0
  Mo  Mo5  1  0.258  0.905  0.378  1.0
  Mo  Mo6  1  0.242  0.905  0.878  1.0
  Mo  Mo7  1  0.742  0.095  0.622  1.0
  F  F8  1  0.891  0.398  0.114  1.0
  F  F9  1  0.391  0.602  0.386  1.0
  F  F10  1  0.109  0.602  0.886  1.0
  F  F11  1  0.609  0.398  0.614  1.0
  F  F12  1  0.601  0.355  0.012  1.0
  F  F13  1  0.101  0.645  0.488  1.0
  F  F14  1  0.399  0.645  0.988  1.0
  F  F15  1  0.899  0.355  0.512  1.0
  F  F16  1  0.411  0.157  0.273  1.0
  F  F17  1  0.911  0.843  0.227  1.0
  F  F18  1  0.589  0.843  0.727  1.0
  F  F19  1  0.089  0.157  0.773  1.0
  F  F20  1  0.134  0.234  0.339  1.0
  F  F21  1  0.634  0.766  0.161  1.0
  F  F22  1  0.866  0.766  0.661  1.0
  F  F23  1  0.366  0.234  0.839  1.0
  F  F24  1  0.675  0.142  0.358  1.0
  F  F25  1  0.175  0.858  0.142  1.0
  F  F26  1  0.325  0.858  0.642  1.0
  F  F27  1  0.825  0.142  0.858  1.0
[/CIF]
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The compound described by MgMoF5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded in a 6-coordinate geometry to one F(1), one F(3), one F(4), one F(5), and two equivalent F(2) atoms. 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 corner-sharing MoF6 octahedra. The corner-sharing octahedral tilt angles are 45°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Mg(1) and one Mo(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Mo(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mg(1) and one Mo(1) atom. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mg(1) and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgMoF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.252
_cell_length_b   5.300
_cell_length_c   7.871
_cell_angle_alpha   71.661
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   405.940
_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
  Mg  Mg0  1  0.002  0.509  0.285  1.0
  Mg  Mg1  1  0.502  0.491  0.215  1.0
  Mg  Mg2  1  0.998  0.491  0.715  1.0
  Mg  Mg3  1  0.498  0.509  0.785  1.0
  Mo  Mo4  1  0.758  0.095  0.122  1.0
  Mo  Mo5  1  0.258  0.905  0.378  1.0
  Mo  Mo6  1  0.242  0.905  0.878  1.0
  Mo  Mo7  1  0.742  0.095  0.622  1.0
  F  F8  1  0.891  0.398  0.114  1.0
  F  F9  1  0.391  0.602  0.386  1.0
  F  F10  1  0.109  0.602  0.886  1.0
  F  F11  1  0.609  0.398  0.614  1.0
  F  F12  1  0.601  0.355  0.012  1.0
  F  F13  1  0.101  0.645  0.488  1.0
  F  F14  1  0.399  0.645  0.988  1.0
  F  F15  1  0.899  0.355  0.512  1.0
  F  F16  1  0.411  0.157  0.273  1.0
  F  F17  1  0.911  0.843  0.227  1.0
  F  F18  1  0.589  0.843  0.727  1.0
  F  F19  1  0.089  0.157  0.773  1.0
  F  F20  1  0.134  0.234  0.339  1.0
  F  F21  1  0.634  0.766  0.161  1.0
  F  F22  1  0.866  0.766  0.661  1.0
  F  F23  1  0.366  0.234  0.839  1.0
  F  F24  1  0.675  0.142  0.358  1.0
  F  F25  1  0.175  0.858  0.142  1.0
  F  F26  1  0.325  0.858  0.642  1.0
  F  F27  1  0.825  0.142  0.858  1.0
[/CIF]
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