The compound described by LaFe9 crystallizes in the monoclinic C2/m space group. La(1) is bonded in a 8-coordinate geometry to two equivalent Fe(1); two equivalent Fe(5); two equivalent Fe(6); two equivalent Fe(7); four Fe(2,2); and four Fe(4,4) atoms. There are twelve inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent La(1); one Fe(6); one Fe(8); two Fe(2,2); two equivalent Fe(7); and four Fe(4,4) atoms. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to two equivalent La(1); one Fe(1); one Fe(3); one Fe(6); one Fe(8); two Fe(2,2); two Fe(4,4); two equivalent Fe(5); and two equivalent Fe(7) atoms. In the third Fe site, Fe(3) is bonded in a 8-coordinate geometry to two equivalent Fe(5); two equivalent Fe(7); four Fe(2,2,2); and four Fe(4,4,4) atoms. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to two equivalent La(1); one Fe(3); one Fe(5); one Fe(7); one Fe(8); two equivalent Fe(1); two Fe(2,2); two Fe(4,4); and two equivalent Fe(6) atoms. In the fifth Fe site, Fe(4) is bonded in a 14-coordinate geometry to two equivalent La(1); one Fe(3); one Fe(5); one Fe(7); one Fe(8); two equivalent Fe(1); two Fe(2,2); two Fe(4,4); and two equivalent Fe(6) atoms. In the sixth Fe site, Fe(5) is bonded in a 12-coordinate geometry to two equivalent La(1); one Fe(3); one Fe(7); two Fe(4,4); two equivalent Fe(6); and four Fe(2,2) atoms. In the seventh Fe site, Fe(2) is bonded in a 14-coordinate geometry to two equivalent La(1); one Fe(1); one Fe(3); one Fe(6); one Fe(8); two Fe(2,2); two Fe(4,4); two equivalent Fe(5); and two equivalent Fe(7) atoms. In the eighth Fe site, Fe(6) is bonded in a 12-coordinate geometry to two equivalent La(1); one Fe(1); one Fe(8); two Fe(2,2); two equivalent Fe(5); and four Fe(4,4) atoms. In the ninth Fe site, Fe(7) is bonded in a 12-coordinate geometry to two equivalent La(1); one Fe(3); one Fe(5); two equivalent Fe(1); two Fe(4,4); and four Fe(2,2) atoms. In the tenth Fe site, Fe(8) is bonded in a 8-coordinate geometry to two equivalent Fe(1); two equivalent Fe(6); four Fe(2,2,2); and four Fe(4,4,4) atoms. In the eleventh Fe site, Fe(2) is bonded in a 14-coordinate geometry to two equivalent La(1); one Fe(1); one Fe(3); one Fe(6); one Fe(8); two Fe(2,2); two Fe(4,4); two equivalent Fe(5); and two equivalent Fe(7) atoms. In the twelfth Fe site, Fe(4) is bonded in a 14-coordinate geometry to two equivalent La(1); one Fe(3); one Fe(5); one Fe(7); one Fe(8); two equivalent Fe(1); two Fe(2,2); two equivalent Fe(4); and two equivalent Fe(6) atoms. is represented by the CIF file [CIF]
data_LaFe9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.486
_cell_length_b   8.486
_cell_length_c   7.097
_cell_angle_alpha   126.725
_cell_angle_beta   126.715
_cell_angle_gamma   90.005
_symmetry_Int_Tables_number   1
_cell_volume   272.817
_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
  La  La0  1  0.250  0.251  0.501  1.0
  La  La1  1  0.750  0.749  0.499  1.0
  Fe  Fe2  1  0.580  0.724  0.000  1.0
  Fe  Fe3  1  0.846  0.346  0.379  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.347  0.534  0.381  1.0
  Fe  Fe6  1  0.966  0.153  0.619  1.0
  Fe  Fe7  1  0.920  0.225  0.000  1.0
  Fe  Fe8  1  0.154  0.654  0.621  1.0
  Fe  Fe9  1  0.420  0.276  1.000  1.0
  Fe  Fe10  1  0.468  0.968  0.621  1.0
  Fe  Fe11  1  0.776  0.920  0.000  1.0
  Fe  Fe12  1  0.034  0.847  0.381  1.0
  Fe  Fe13  1  0.224  0.080  1.000  1.0
  Fe  Fe14  1  0.080  0.775  1.000  1.0
  Fe  Fe15  1  0.275  0.580  1.000  1.0
  Fe  Fe16  1  0.500  0.000  0.000  1.0
  Fe  Fe17  1  0.532  0.032  0.379  1.0
  Fe  Fe18  1  0.653  0.466  0.619  1.0
  Fe  Fe19  1  0.725  0.420  0.000  1.0
[/CIF]
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The compound described by LaFe9 crystallizes in the monoclinic C2/m space group. La(1) is bonded in a 8-coordinate geometry to two equivalent Fe(1); two equivalent Fe(5); two equivalent Fe(6); two equivalent Fe(7); four Fe(2,2); and four Fe(4,4) atoms. There are twelve inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent La(1); one Fe(6); one Fe(8); two Fe(2,2); two equivalent Fe(7); and four Fe(4,4) atoms. In the second Fe site, Fe(2) is bonded in a 14-coordinate geometry to two equivalent La(1); one Fe(1); one Fe(3); one Fe(6); one Fe(8); two Fe(2,2); two Fe(4,4); two equivalent Fe(5); and two equivalent Fe(7) atoms. In the third Fe site, Fe(3) is bonded in a 8-coordinate geometry to two equivalent Fe(5); two equivalent Fe(7); four Fe(2,2,2); and four Fe(4,4,4) atoms. In the fourth Fe site, Fe(4) is bonded in a 14-coordinate geometry to two equivalent La(1); one Fe(3); one Fe(5); one Fe(7); one Fe(8); two equivalent Fe(1); two Fe(2,2); two Fe(4,4); and two equivalent Fe(6) atoms. In the fifth Fe site, Fe(4) is bonded in a 14-coordinate geometry to two equivalent La(1); one Fe(3); one Fe(5); one Fe(7); one Fe(8); two equivalent Fe(1); two Fe(2,2); two Fe(4,4); and two equivalent Fe(6) atoms. In the sixth Fe site, Fe(5) is bonded in a 12-coordinate geometry to two equivalent La(1); one Fe(3); one Fe(7); two Fe(4,4); two equivalent Fe(6); and four Fe(2,2) atoms. In the seventh Fe site, Fe(2) is bonded in a 14-coordinate geometry to two equivalent La(1); one Fe(1); one Fe(3); one Fe(6); one Fe(8); two Fe(2,2); two Fe(4,4); two equivalent Fe(5); and two equivalent Fe(7) atoms. In the eighth Fe site, Fe(6) is bonded in a 12-coordinate geometry to two equivalent La(1); one Fe(1); one Fe(8); two Fe(2,2); two equivalent Fe(5); and four Fe(4,4) atoms. In the ninth Fe site, Fe(7) is bonded in a 12-coordinate geometry to two equivalent La(1); one Fe(3); one Fe(5); two equivalent Fe(1); two Fe(4,4); and four Fe(2,2) atoms. In the tenth Fe site, Fe(8) is bonded in a 8-coordinate geometry to two equivalent Fe(1); two equivalent Fe(6); four Fe(2,2,2); and four Fe(4,4,4) atoms. In the eleventh Fe site, Fe(2) is bonded in a 14-coordinate geometry to two equivalent La(1); one Fe(1); one Fe(3); one Fe(6); one Fe(8); two Fe(2,2); two Fe(4,4); two equivalent Fe(5); and two equivalent Fe(7) atoms. In the twelfth Fe site, Fe(4) is bonded in a 14-coordinate geometry to two equivalent La(1); one Fe(3); one Fe(5); one Fe(7); one Fe(8); two equivalent Fe(1); two Fe(2,2); two equivalent Fe(4); and two equivalent Fe(6) atoms. is represented by the CIF file [CIF]
data_LaFe9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.486
_cell_length_b   8.486
_cell_length_c   7.097
_cell_angle_alpha   126.725
_cell_angle_beta   126.715
_cell_angle_gamma   90.005
_symmetry_Int_Tables_number   1
_cell_volume   272.817
_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
  La  La0  1  0.250  0.251  0.501  1.0
  La  La1  1  0.750  0.749  0.499  1.0
  Fe  Fe2  1  0.580  0.724  0.000  1.0
  Fe  Fe3  1  0.846  0.346  0.379  1.0
  Fe  Fe4  1  0.000  0.500  0.000  1.0
  Fe  Fe5  1  0.347  0.534  0.381  1.0
  Fe  Fe6  1  0.966  0.153  0.619  1.0
  Fe  Fe7  1  0.920  0.225  0.000  1.0
  Fe  Fe8  1  0.154  0.654  0.621  1.0
  Fe  Fe9  1  0.420  0.276  1.000  1.0
  Fe  Fe10  1  0.468  0.968  0.621  1.0
  Fe  Fe11  1  0.776  0.920  0.000  1.0
  Fe  Fe12  1  0.034  0.847  0.381  1.0
  Fe  Fe13  1  0.224  0.080  1.000  1.0
  Fe  Fe14  1  0.080  0.775  1.000  1.0
  Fe  Fe15  1  0.275  0.580  1.000  1.0
  Fe  Fe16  1  0.500  0.000  0.000  1.0
  Fe  Fe17  1  0.532  0.032  0.379  1.0
  Fe  Fe18  1  0.653  0.466  0.619  1.0
  Fe  Fe19  1  0.725  0.420  0.000  1.0
[/CIF]
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