The material described by Mn7FeO10Cl3 crystallizes in the cubic Fm-3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms. In the second Mn site, Mn(2) is bonded in an octahedral geometry to six equivalent Cl(1) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Fe(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Mn(3) and three equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OMn4 tetrahedra. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one Fe(1) atom. Cl(1) is bonded in a 5-coordinate geometry to one Mn(2) and four equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mn7FeCl3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.439
_cell_length_b   9.439
_cell_length_c   9.439
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   594.638
_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
  Mn  Mn0  1  0.649  0.000  0.351  1.0
  Mn  Mn1  1  0.351  0.649  0.000  1.0
  Mn  Mn2  1  0.000  0.000  0.351  1.0
  Mn  Mn3  1  0.649  0.000  0.000  1.0
  Mn  Mn4  1  0.351  0.000  0.649  1.0
  Mn  Mn5  1  0.000  0.351  0.649  1.0
  Mn  Mn6  1  0.000  0.351  0.000  1.0
  Mn  Mn7  1  0.649  0.351  0.000  1.0
  Mn  Mn8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.000  0.649  0.000  1.0
  Mn  Mn10  1  0.000  0.000  0.649  1.0
  Mn  Mn11  1  0.000  0.649  0.351  1.0
  Mn  Mn12  1  0.351  0.000  0.000  1.0
  Mn  Mn13  1  0.000  0.000  0.000  1.0
  Fe  Fe14  1  0.250  0.250  0.250  1.0
  Fe  Fe15  1  0.750  0.750  0.750  1.0
  Cl  Cl16  1  0.697  0.303  0.303  1.0
  Cl  Cl17  1  0.303  0.697  0.697  1.0
  Cl  Cl18  1  0.697  0.697  0.303  1.0
  Cl  Cl19  1  0.303  0.697  0.303  1.0
  Cl  Cl20  1  0.697  0.303  0.697  1.0
  Cl  Cl21  1  0.303  0.303  0.697  1.0
  O  O22  1  0.596  0.904  0.904  1.0
  O  O23  1  0.596  0.904  0.596  1.0
  O  O24  1  0.300  0.900  0.900  1.0
  O  O25  1  0.596  0.596  0.904  1.0
  O  O26  1  0.904  0.596  0.904  1.0
  O  O27  1  0.096  0.096  0.404  1.0
  O  O28  1  0.404  0.096  0.096  1.0
  O  O29  1  0.904  0.596  0.596  1.0
  O  O30  1  0.100  0.700  0.100  1.0
  O  O31  1  0.900  0.300  0.900  1.0
  O  O32  1  0.100  0.100  0.100  1.0
  O  O33  1  0.404  0.404  0.096  1.0
  O  O34  1  0.904  0.904  0.596  1.0
  O  O35  1  0.700  0.100  0.100  1.0
  O  O36  1  0.096  0.404  0.404  1.0
  O  O37  1  0.900  0.900  0.300  1.0
  O  O38  1  0.404  0.096  0.404  1.0
  O  O39  1  0.900  0.900  0.900  1.0
  O  O40  1  0.100  0.100  0.700  1.0
  O  O41  1  0.096  0.404  0.096  1.0
[/CIF]
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The material described by Mn7FeO10Cl3 crystallizes in the cubic Fm-3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted square co-planar geometry to two equivalent O(1), two equivalent O(2), and two equivalent Cl(1) atoms. In the second Mn site, Mn(2) is bonded in an octahedral geometry to six equivalent Cl(1) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to eight equivalent O(2) atoms. Fe(1) is bonded in an octahedral geometry to six equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Mn(3) and three equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OMn4 tetrahedra. In the second O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one Fe(1) atom. Cl(1) is bonded in a 5-coordinate geometry to one Mn(2) and four equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mn7FeCl3O10
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.439
_cell_length_b   9.439
_cell_length_c   9.439
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   594.638
_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
  Mn  Mn0  1  0.649  0.000  0.351  1.0
  Mn  Mn1  1  0.351  0.649  0.000  1.0
  Mn  Mn2  1  0.000  0.000  0.351  1.0
  Mn  Mn3  1  0.649  0.000  0.000  1.0
  Mn  Mn4  1  0.351  0.000  0.649  1.0
  Mn  Mn5  1  0.000  0.351  0.649  1.0
  Mn  Mn6  1  0.000  0.351  0.000  1.0
  Mn  Mn7  1  0.649  0.351  0.000  1.0
  Mn  Mn8  1  0.500  0.500  0.500  1.0
  Mn  Mn9  1  0.000  0.649  0.000  1.0
  Mn  Mn10  1  0.000  0.000  0.649  1.0
  Mn  Mn11  1  0.000  0.649  0.351  1.0
  Mn  Mn12  1  0.351  0.000  0.000  1.0
  Mn  Mn13  1  0.000  0.000  0.000  1.0
  Fe  Fe14  1  0.250  0.250  0.250  1.0
  Fe  Fe15  1  0.750  0.750  0.750  1.0
  Cl  Cl16  1  0.697  0.303  0.303  1.0
  Cl  Cl17  1  0.303  0.697  0.697  1.0
  Cl  Cl18  1  0.697  0.697  0.303  1.0
  Cl  Cl19  1  0.303  0.697  0.303  1.0
  Cl  Cl20  1  0.697  0.303  0.697  1.0
  Cl  Cl21  1  0.303  0.303  0.697  1.0
  O  O22  1  0.596  0.904  0.904  1.0
  O  O23  1  0.596  0.904  0.596  1.0
  O  O24  1  0.300  0.900  0.900  1.0
  O  O25  1  0.596  0.596  0.904  1.0
  O  O26  1  0.904  0.596  0.904  1.0
  O  O27  1  0.096  0.096  0.404  1.0
  O  O28  1  0.404  0.096  0.096  1.0
  O  O29  1  0.904  0.596  0.596  1.0
  O  O30  1  0.100  0.700  0.100  1.0
  O  O31  1  0.900  0.300  0.900  1.0
  O  O32  1  0.100  0.100  0.100  1.0
  O  O33  1  0.404  0.404  0.096  1.0
  O  O34  1  0.904  0.904  0.596  1.0
  O  O35  1  0.700  0.100  0.100  1.0
  O  O36  1  0.096  0.404  0.404  1.0
  O  O37  1  0.900  0.900  0.300  1.0
  O  O38  1  0.404  0.096  0.404  1.0
  O  O39  1  0.900  0.900  0.900  1.0
  O  O40  1  0.100  0.100  0.700  1.0
  O  O41  1  0.096  0.404  0.096  1.0
[/CIF]
.