The structure described by MgCoF5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one F(3), one F(4), one F(5), two equivalent F(1), and two equivalent F(2) atoms to form distorted MgF7 pentagonal bipyramids that share corners with four equivalent Co(1)F6 octahedra, edges with two equivalent Co(1)F6 octahedra, and edges with two equivalent Mg(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 10-42°. Co(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form CoF6 octahedra that share corners with two equivalent Co(1)F6 octahedra, corners with four equivalent Mg(1)F7 pentagonal bipyramids, and edges with two equivalent Mg(1)F7 pentagonal bipyramids. 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 3-coordinate geometry to two equivalent Mg(1) and one Co(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Co(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Co(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mg(1) and one Co(1) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_MgCoF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.599
_cell_length_b   5.185
_cell_length_c   7.355
_cell_angle_alpha   70.040
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   344.085
_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  0.012  0.523  0.747  1.0
  Mg  Mg1  1  0.512  0.477  0.753  1.0
  Mg  Mg2  1  0.988  0.477  0.253  1.0
  Mg  Mg3  1  0.488  0.523  0.247  1.0
  Co  Co4  1  0.753  0.101  0.602  1.0
  Co  Co5  1  0.253  0.899  0.898  1.0
  Co  Co6  1  0.247  0.899  0.398  1.0
  Co  Co7  1  0.747  0.101  0.102  1.0
  F  F8  1  0.888  0.393  0.575  1.0
  F  F9  1  0.388  0.607  0.925  1.0
  F  F10  1  0.112  0.607  0.425  1.0
  F  F11  1  0.612  0.393  0.075  1.0
  F  F12  1  0.608  0.356  0.489  1.0
  F  F13  1  0.108  0.644  0.011  1.0
  F  F14  1  0.392  0.644  0.511  1.0
  F  F15  1  0.892  0.356  0.989  1.0
  F  F16  1  0.398  0.146  0.804  1.0
  F  F17  1  0.898  0.854  0.696  1.0
  F  F18  1  0.602  0.854  0.196  1.0
  F  F19  1  0.102  0.146  0.304  1.0
  F  F20  1  0.135  0.206  0.847  1.0
  F  F21  1  0.635  0.794  0.653  1.0
  F  F22  1  0.865  0.794  0.153  1.0
  F  F23  1  0.365  0.206  0.347  1.0
  F  F24  1  0.680  0.175  0.833  1.0
  F  F25  1  0.180  0.825  0.667  1.0
  F  F26  1  0.320  0.825  0.167  1.0
  F  F27  1  0.820  0.175  0.333  1.0
[/CIF]
.
The structure described by MgCoF5 crystallizes in the monoclinic P2_1/c space group. Mg(1) is bonded to one F(3), one F(4), one F(5), two equivalent F(1), and two equivalent F(2) atoms to form distorted MgF7 pentagonal bipyramids that share corners with four equivalent Co(1)F6 octahedra, edges with two equivalent Co(1)F6 octahedra, and edges with two equivalent Mg(1)F7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 10-42°. Co(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form CoF6 octahedra that share corners with two equivalent Co(1)F6 octahedra, corners with four equivalent Mg(1)F7 pentagonal bipyramids, and edges with two equivalent Mg(1)F7 pentagonal bipyramids. 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 3-coordinate geometry to two equivalent Mg(1) and one Co(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to two equivalent Mg(1) and one Co(1) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Mg(1) and one Co(1) atom. In the fourth F site, F(4) is bonded in a linear geometry to one Mg(1) and one Co(1) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Mg(1) and two equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_MgCoF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.599
_cell_length_b   5.185
_cell_length_c   7.355
_cell_angle_alpha   70.040
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   344.085
_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  0.012  0.523  0.747  1.0
  Mg  Mg1  1  0.512  0.477  0.753  1.0
  Mg  Mg2  1  0.988  0.477  0.253  1.0
  Mg  Mg3  1  0.488  0.523  0.247  1.0
  Co  Co4  1  0.753  0.101  0.602  1.0
  Co  Co5  1  0.253  0.899  0.898  1.0
  Co  Co6  1  0.247  0.899  0.398  1.0
  Co  Co7  1  0.747  0.101  0.102  1.0
  F  F8  1  0.888  0.393  0.575  1.0
  F  F9  1  0.388  0.607  0.925  1.0
  F  F10  1  0.112  0.607  0.425  1.0
  F  F11  1  0.612  0.393  0.075  1.0
  F  F12  1  0.608  0.356  0.489  1.0
  F  F13  1  0.108  0.644  0.011  1.0
  F  F14  1  0.392  0.644  0.511  1.0
  F  F15  1  0.892  0.356  0.989  1.0
  F  F16  1  0.398  0.146  0.804  1.0
  F  F17  1  0.898  0.854  0.696  1.0
  F  F18  1  0.602  0.854  0.196  1.0
  F  F19  1  0.102  0.146  0.304  1.0
  F  F20  1  0.135  0.206  0.847  1.0
  F  F21  1  0.635  0.794  0.653  1.0
  F  F22  1  0.865  0.794  0.153  1.0
  F  F23  1  0.365  0.206  0.347  1.0
  F  F24  1  0.680  0.175  0.833  1.0
  F  F25  1  0.180  0.825  0.667  1.0
  F  F26  1  0.320  0.825  0.167  1.0
  F  F27  1  0.820  0.175  0.333  1.0
[/CIF]
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