The crystal structure described by MgMnF4 crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one F(2), one F(3), two equivalent F(4), and two equivalent F(6) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(5), two equivalent F(4), and two equivalent F(6) atoms. Mn(1) is bonded in a body-centered cubic geometry to one F(1), one F(2), one F(3), one F(5), two equivalent F(4), and two equivalent F(6) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mg(2) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded to one Mg(1), one Mg(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FMg2Mn2 tetrahedra. In the third F site, F(3) is bonded to one Mg(1), one Mg(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FMg2Mn2 tetrahedra. In the fourth F site, F(4) is bonded to one Mg(1), one Mg(2), and two equivalent Mn(1) atoms to form a mixture of corner and edge-sharing FMg2Mn2 tetrahedra. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Mg(2) and two equivalent Mn(1) atoms. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Mg(1), one Mg(2), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MgMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.167
_cell_length_b   5.167
_cell_length_c   6.303
_cell_angle_alpha   65.941
_cell_angle_beta   65.941
_cell_angle_gamma   89.617
_symmetry_Int_Tables_number   1
_cell_volume   137.709
_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
  Mg  Mg0  1  0.277  0.277  0.469  1.0
  Mg  Mg1  1  0.762  0.762  0.488  1.0
  Mn  Mn2  1  0.509  0.014  0.990  1.0
  Mn  Mn3  1  0.014  0.509  0.990  1.0
  F  F4  1  0.803  0.803  0.779  1.0
  F  F5  1  0.610  0.610  0.284  1.0
  F  F6  1  0.124  0.124  0.286  1.0
  F  F7  1  0.644  0.133  0.241  1.0
  F  F8  1  0.424  0.424  0.772  1.0
  F  F9  1  0.938  0.332  0.733  1.0
  F  F10  1  0.332  0.938  0.733  1.0
  F  F11  1  0.133  0.644  0.241  1.0
[/CIF]
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The crystal structure described by MgMnF4 crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one F(2), one F(3), two equivalent F(4), and two equivalent F(6) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to one F(1), one F(2), one F(3), one F(5), two equivalent F(4), and two equivalent F(6) atoms. Mn(1) is bonded in a body-centered cubic geometry to one F(1), one F(2), one F(3), one F(5), two equivalent F(4), and two equivalent F(6) atoms. There are six inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mg(2) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded to one Mg(1), one Mg(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FMg2Mn2 tetrahedra. In the third F site, F(3) is bonded to one Mg(1), one Mg(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FMg2Mn2 tetrahedra. In the fourth F site, F(4) is bonded to one Mg(1), one Mg(2), and two equivalent Mn(1) atoms to form a mixture of corner and edge-sharing FMg2Mn2 tetrahedra. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Mg(2) and two equivalent Mn(1) atoms. In the sixth F site, F(6) is bonded in a 4-coordinate geometry to one Mg(1), one Mg(2), and two equivalent Mn(1) atoms. is represented by the CIF file [CIF]
data_MgMnF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.167
_cell_length_b   5.167
_cell_length_c   6.303
_cell_angle_alpha   65.941
_cell_angle_beta   65.941
_cell_angle_gamma   89.617
_symmetry_Int_Tables_number   1
_cell_volume   137.709
_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
  Mg  Mg0  1  0.277  0.277  0.469  1.0
  Mg  Mg1  1  0.762  0.762  0.488  1.0
  Mn  Mn2  1  0.509  0.014  0.990  1.0
  Mn  Mn3  1  0.014  0.509  0.990  1.0
  F  F4  1  0.803  0.803  0.779  1.0
  F  F5  1  0.610  0.610  0.284  1.0
  F  F6  1  0.124  0.124  0.286  1.0
  F  F7  1  0.644  0.133  0.241  1.0
  F  F8  1  0.424  0.424  0.772  1.0
  F  F9  1  0.938  0.332  0.733  1.0
  F  F10  1  0.332  0.938  0.733  1.0
  F  F11  1  0.133  0.644  0.241  1.0
[/CIF]
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