The material described by Y3(MoFe8)4 crystallizes in the monoclinic Cm space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 20-coordinate geometry to one Mo(3), one Mo(4), one Fe(21), one Fe(26), two equivalent Fe(1), two equivalent Fe(10), two equivalent Fe(13), two equivalent Fe(15), two equivalent Fe(6), two equivalent Fe(9), and four equivalent Fe(16) atoms. In the second Y site, Y(2) is bonded in a 20-coordinate geometry to one Mo(1), one Fe(19), one Fe(22), one Fe(24), two equivalent Fe(11), two equivalent Fe(13), two equivalent Fe(14), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(7), and four equivalent Fe(17) atoms. In the third Y site, Y(3) is bonded in a 20-coordinate geometry to one Mo(2), one Fe(20), one Fe(23), one Fe(25), two equivalent Fe(12), two equivalent Fe(14), two equivalent Fe(15), two equivalent Fe(3), two equivalent Fe(5), two equivalent Fe(8), and four equivalent Fe(18) atoms. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 14-coordinate geometry to one Y(2), one Mo(4), one Fe(10), one Fe(7), two equivalent Fe(13), two equivalent Fe(17), two equivalent Fe(21), two equivalent Fe(24), and two equivalent Fe(4) atoms. In the second Mo site, Mo(2) is bonded in a 14-coordinate geometry to one Y(3), one Fe(11), one Fe(19), one Fe(8), two equivalent Fe(14), two equivalent Fe(18), two equivalent Fe(22), two equivalent Fe(25), and two equivalent Fe(5) atoms. In the third Mo site, Mo(3) is bonded in a 14-coordinate geometry to one Y(1), one Fe(12), one Fe(20), one Fe(9), two equivalent Fe(15), two equivalent Fe(16), two equivalent Fe(23), two equivalent Fe(26), and two equivalent Fe(6) atoms. In the fourth Mo site, Mo(4) is bonded in a 14-coordinate geometry to one Y(1), one Mo(1), one Fe(10), one Fe(7), two equivalent Fe(1), two equivalent Fe(13), two equivalent Fe(16), two equivalent Fe(21), and two equivalent Fe(24) atoms. There are twenty-six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Mo(4), one Fe(10), one Fe(21), one Fe(24), one Fe(9), two equivalent Fe(13), and two equivalent Fe(16) atoms. In the second Fe site, Fe(2) is bonded to two equivalent Y(2), one Fe(11), one Fe(22), one Fe(25), one Fe(7), two equivalent Fe(14), two equivalent Fe(17), and two equivalent Fe(19) atoms to form distorted FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(7)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(17)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(18)Y2Fe9Mo cuboctahedra, edges with two equivalent Fe(2)Y2Fe10 cuboctahedra, edges with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(17)Y2Fe9Mo cuboctahedra,  a faceface with one Fe(7)Y2Fe8Mo2 cuboctahedra, faces with four equivalent Fe(14)Y2Fe9Mo cuboctahedra, and faces with four equivalent Fe(17)Y2Fe9Mo cuboctahedra. In the third Fe site, Fe(3) is bonded to two equivalent Y(3), one Fe(12), one Fe(23), one Fe(26), one Fe(8), two equivalent Fe(15), two equivalent Fe(18), and two equivalent Fe(20) atoms to form distorted FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(18)Y2Fe9Mo cuboctahedra, edges with two equivalent Fe(3)Y2Fe10 cuboctahedra, edges with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, edges with two equivalent Fe(18)Y2Fe9Mo cuboctahedra, faces with four equivalent Fe(15)Y2Fe9Mo cuboctahedra, and faces with four equivalent Fe(18)Y2Fe9Mo cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to two equivalent Y(2), two equivalent Mo(1), one Fe(11), one Fe(21), one Fe(24), one Fe(7), two equivalent Fe(13), and two equivalent Fe(17) atoms. In the fifth Fe site, Fe(5) is bonded in a 12-coordinate geometry to two equivalent Y(3), two equivalent Mo(2), one Fe(12), one Fe(22), one Fe(25), one Fe(8), two equivalent Fe(14), and two equivalent Fe(18) atoms. In the sixth Fe site, Fe(6) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Mo(3), one Fe(10), one Fe(23), one Fe(26), one Fe(9), two equivalent Fe(15), and two equivalent Fe(16) atoms. In the seventh Fe site, Fe(7) is bonded to two equivalent Y(2), one Mo(1), one Mo(4), one Fe(2), one Fe(4), two equivalent Fe(13), two equivalent Fe(17), and two equivalent Fe(24) atoms to form distorted FeY2Fe8Mo2 cuboctahedra that share corners with two equivalent Fe(2)Y2Fe10 cuboctahedra, corners with two equivalent Fe(10)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(17)Y2Fe9Mo cuboctahedra,  an edgeedge with one Fe(10)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(7)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, edges with two equivalent Fe(17)Y2Fe9Mo cuboctahedra,  a faceface with one Fe(2)Y2Fe10 cuboctahedra, faces with four equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, and faces with four equivalent Fe(17)Y2Fe9Mo cuboctahedra. In the eighth Fe site, Fe(8) is bonded in a 12-coordinate geometry to two equivalent Y(3), one Mo(2), one Fe(19), one Fe(3), one Fe(5), two equivalent Fe(14), two equivalent Fe(18), and two equivalent Fe(25) atoms. In the ninth Fe site, Fe(9) is bonded in a 12-coordinate geometry to two equivalent Y(1), one Mo(3), one Fe(1), one Fe(20), one Fe(6), two equivalent Fe(15), two equivalent Fe(16), and two equivalent Fe(26) atoms. In the tenth Fe site, Fe(10) is bonded to two equivalent Y(1), one Mo(1), one Mo(4), one Fe(1), one Fe(6), two equivalent Fe(13), two equivalent Fe(16), and two equivalent Fe(21) atoms to form distorted FeY2Fe8Mo2 cuboctahedra that share corners with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(7)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(17)Y2Fe9Mo cuboctahedra,  an edgeedge with one Fe(7)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(10)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, faces with four equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, and faces with four equivalent Fe(16)Y2Fe8Mo2 cuboctahedra. In the eleventh Fe site, Fe(11) is bonded in a 12-coordinate geometry to two equivalent Y(2), one Mo(2), one Fe(19), one Fe(2), one Fe(4), two equivalent Fe(14), two equivalent Fe(17), and two equivalent Fe(22) atoms. In the twelfth Fe site, Fe(12) is bonded in a 12-coordinate geometry to two equivalent Y(3), one Mo(3), one Fe(20), one Fe(3), one Fe(5), two equivalent Fe(15), two equivalent Fe(18), and two equivalent Fe(23) atoms. In the thirteenth Fe site, Fe(13) is bonded to one Y(1), one Y(2), one Mo(1), one Mo(4), one Fe(1), one Fe(10), one Fe(21), one Fe(24), one Fe(4), one Fe(7), and two equivalent Fe(13) atoms to form distorted FeY2Fe8Mo2 cuboctahedra that share  a cornercorner with one Fe(2)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(10)Y2Fe8Mo2 cuboctahedra,  a cornercorner with one Fe(7)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(17)Y2Fe9Mo cuboctahedra,  an edgeedge with one Fe(2)Y2Fe10 cuboctahedra, edges with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(17)Y2Fe9Mo cuboctahedra, faces with two equivalent Fe(10)Y2Fe8Mo2 cuboctahedra, faces with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, faces with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, faces with two equivalent Fe(7)Y2Fe8Mo2 cuboctahedra, and faces with two equivalent Fe(17)Y2Fe9Mo cuboctahedra. In the fourteenth Fe site, Fe(14) is bonded to one Y(2), one Y(3), one Mo(2), one Fe(11), one Fe(19), one Fe(2), one Fe(22), one Fe(25), one Fe(5), one Fe(8), and two equivalent Fe(14) atoms to form distorted FeY2Fe9Mo cuboctahedra that share  a cornercorner with one Fe(2)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(3)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(7)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(17)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(18)Y2Fe9Mo cuboctahedra,  an edgeedge with one Fe(3)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(17)Y2Fe9Mo cuboctahedra, edges with two equivalent Fe(18)Y2Fe9Mo cuboctahedra, faces with two equivalent Fe(2)Y2Fe10 cuboctahedra, faces with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, faces with two equivalent Fe(17)Y2Fe9Mo cuboctahedra, and faces with two equivalent Fe(18)Y2Fe9Mo cuboctahedra. In the fifteenth Fe site, Fe(15) is bonded to one Y(1), one Y(3), one Mo(3), one Fe(12), one Fe(20), one Fe(23), one Fe(26), one Fe(3), one Fe(6), one Fe(9), and two equivalent Fe(15) atoms to form distorted FeY2Fe9Mo cuboctahedra that share  a cornercorner with one Fe(3)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(10)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(18)Y2Fe9Mo cuboctahedra,  an edgeedge with one Fe(10)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(18)Y2Fe9Mo cuboctahedra, faces with two equivalent Fe(3)Y2Fe10 cuboctahedra, faces with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, faces with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, and faces with two equivalent Fe(18)Y2Fe9Mo cuboctahedra. In the sixteenth Fe site, Fe(16) is bonded to two equivalent Y(1), one Mo(3), one Mo(4), one Fe(1), one Fe(10), one Fe(21), one Fe(26), one Fe(6), one Fe(9), and two equivalent Fe(16) atoms to form distorted FeY2Fe8Mo2 cuboctahedra that share  a cornercorner with one Fe(3)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(10)Y2Fe8Mo2 cuboctahedra,  a cornercorner with one Fe(7)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, corners with six equivalent Fe(16)Y2Fe8Mo2 cuboctahedra,  an edgeedge with one Fe(10)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, faces with two equivalent Fe(10)Y2Fe8Mo2 cuboctahedra, faces with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, faces with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, and faces with two equivalent Fe(15)Y2Fe9Mo cuboctahedra. In the seventeenth Fe site, Fe(17) is bonded to two equivalent Y(2), one Mo(1), one Fe(11), one Fe(19), one Fe(2), one Fe(22), one Fe(24), one Fe(4), one Fe(7), and two equivalent Fe(17) atoms to form distorted FeY2Fe9Mo cuboctahedra that share  a cornercorner with one Fe(2)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(10)Y2Fe8Mo2 cuboctahedra,  a cornercorner with one Fe(7)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, corners with six equivalent Fe(17)Y2Fe9Mo cuboctahedra,  an edgeedge with one Fe(2)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, faces with two equivalent Fe(2)Y2Fe10 cuboctahedra, faces with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, faces with two equivalent Fe(7)Y2Fe8Mo2 cuboctahedra, faces with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, and faces with two equivalent Fe(17)Y2Fe9Mo cuboctahedra. In the eighteenth Fe site, Fe(18) is bonded to two equivalent Y(3), one Mo(2), one Fe(12), one Fe(20), one Fe(23), one Fe(25), one Fe(3), one Fe(5), one Fe(8), and two equivalent Fe(18) atoms to form distorted FeY2Fe9Mo cuboctahedra that share  a cornercorner with one Fe(2)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(3)Y2Fe10 cuboctahedra, corners with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, corners with six equivalent Fe(18)Y2Fe9Mo cuboctahedra,  an edgeedge with one Fe(3)Y2Fe10 cuboctahedra, edges with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, edges with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, faces with two equivalent Fe(3)Y2Fe10 cuboctahedra, faces with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, faces with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, and faces with two equivalent Fe(18)Y2Fe9Mo cuboctahedra. In the nineteenth Fe site, Fe(19) is bonded in a distorted single-bond geometry to one Y(2), one Mo(2), one Fe(11), one Fe(8), two equivalent Fe(14), two equivalent Fe(17), two equivalent Fe(2), two equivalent Fe(22), and two equivalent Fe(25) atoms. In the twentieth Fe site, Fe(20) is bonded in a distorted single-bond geometry to one Y(3), one Mo(3), one Fe(12), one Fe(9), two equivalent Fe(15), two equivalent Fe(18), two equivalent Fe(23), two equivalent Fe(26), and two equivalent Fe(3) atoms. In the twenty-first Fe site, Fe(21) is bonded in a 14-coordinate geometry to one Y(1), two equivalent Mo(1), two equivalent Mo(4), one Fe(1), one Fe(24), one Fe(4), two equivalent Fe(10), two equivalent Fe(13), and two equivalent Fe(16) atoms. In the twenty-second Fe site, Fe(22) is bonded in a 14-coordinate geometry to one Y(2), two equivalent Mo(2), one Fe(2), one Fe(25), one Fe(5), two equivalent Fe(11), two equivalent Fe(14), two equivalent Fe(17), and two equivalent Fe(19) atoms. In the twenty-third Fe site, Fe(23) is bonded in a 14-coordinate geometry to one Y(3), two equivalent Mo(3), one Fe(26), one Fe(3), one Fe(6), two equivalent Fe(12), two equivalent Fe(15), two equivalent Fe(18), and two equivalent Fe(20) atoms. In the twenty-fourth Fe site, Fe(24) is bonded in a 14-coordinate geometry to one Y(2), two equivalent Mo(1), two equivalent Mo(4), one Fe(1), one Fe(21), one Fe(4), two equivalent Fe(13), two equivalent Fe(17), and two equivalent Fe(7) atoms. In the twenty-fifth Fe site, Fe(25) is bonded in a 14-coordinate geometry to one Y(3), two equivalent Mo(2), one Fe(2), one Fe(22), one Fe(5), two equivalent Fe(14), two equivalent Fe(18), two equivalent Fe(19), and two equivalent Fe(8) atoms. In the twenty-sixth Fe site, Fe(26) is bonded in a 14-coordinate geometry to one Y(1), two equivalent Mo(3), one Fe(23), one Fe(3), one Fe(6), two equivalent Fe(15), two equivalent Fe(16), two equivalent Fe(20), and two equivalent Fe(9) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3(Fe8Mo)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.733
_cell_length_b   6.479
_cell_length_c   18.231
_cell_angle_alpha   93.111
_cell_angle_beta   82.542
_cell_angle_gamma   111.420
_symmetry_Int_Tables_number   1
_cell_volume   515.979
_cell_formula_units_Z   1
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
  Y  Y0  1  0.000  0.000  1.000  1.0
  Y  Y1  1  0.329  0.994  0.336  1.0
  Y  Y2  1  0.663  0.994  0.669  1.0
  Fe  Fe3  1  0.350  0.775  0.075  1.0
  Fe  Fe4  1  0.681  0.771  0.410  1.0
  Fe  Fe5  1  0.014  0.771  0.743  1.0
  Fe  Fe6  1  0.983  0.225  0.258  1.0
  Fe  Fe7  1  0.319  0.228  0.591  1.0
  Fe  Fe8  1  0.652  0.227  0.924  1.0
  Fe  Fe9  1  0.760  0.781  0.260  1.0
  Fe  Fe10  1  0.094  0.779  0.592  1.0
  Fe  Fe11  1  0.426  0.778  0.925  1.0
  Fe  Fe12  1  0.573  0.220  0.073  1.0
  Fe  Fe13  1  0.908  0.224  0.407  1.0
  Fe  Fe14  1  0.242  0.224  0.740  1.0
  Fe  Fe15  1  0.167  0.000  0.167  1.0
  Fe  Fe16  1  0.498  0.998  0.500  1.0
  Fe  Fe17  1  0.831  0.998  0.833  1.0
  Fe  Fe18  1  0.666  0.000  0.167  1.0
  Fe  Fe19  1  1.000  0.998  0.500  1.0
  Fe  Fe20  1  0.333  0.998  0.833  1.0
  Fe  Fe21  1  0.001  0.499  0.999  1.0
  Fe  Fe22  1  0.331  0.501  0.335  1.0
  Fe  Fe23  1  0.665  0.499  0.667  1.0
  Fe  Fe24  1  0.499  0.499  0.999  1.0
  Fe  Fe25  1  0.835  0.501  0.335  1.0
  Fe  Fe26  1  0.167  0.499  0.667  1.0
  Fe  Fe27  1  0.094  0.641  0.453  1.0
  Fe  Fe28  1  0.428  0.641  0.786  1.0
  Fe  Fe29  1  0.119  0.358  0.119  1.0
  Fe  Fe30  1  0.453  0.360  0.453  1.0
  Fe  Fe31  1  0.787  0.360  0.786  1.0
  Fe  Fe32  1  0.214  0.641  0.214  1.0
  Fe  Fe33  1  0.547  0.642  0.547  1.0
  Fe  Fe34  1  0.881  0.642  0.880  1.0
  Mo  Mo35  1  0.571  0.358  0.216  1.0
  Mo  Mo36  1  0.911  0.366  0.544  1.0
  Mo  Mo37  1  0.245  0.366  0.877  1.0
  Mo  Mo38  1  0.762  0.643  0.118  1.0
[/CIF]
.
The material described by Y3(MoFe8)4 crystallizes in the monoclinic Cm space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 20-coordinate geometry to one Mo(3), one Mo(4), one Fe(21), one Fe(26), two equivalent Fe(1), two equivalent Fe(10), two equivalent Fe(13), two equivalent Fe(15), two equivalent Fe(6), two equivalent Fe(9), and four equivalent Fe(16) atoms. In the second Y site, Y(2) is bonded in a 20-coordinate geometry to one Mo(1), one Fe(19), one Fe(22), one Fe(24), two equivalent Fe(11), two equivalent Fe(13), two equivalent Fe(14), two equivalent Fe(2), two equivalent Fe(4), two equivalent Fe(7), and four equivalent Fe(17) atoms. In the third Y site, Y(3) is bonded in a 20-coordinate geometry to one Mo(2), one Fe(20), one Fe(23), one Fe(25), two equivalent Fe(12), two equivalent Fe(14), two equivalent Fe(15), two equivalent Fe(3), two equivalent Fe(5), two equivalent Fe(8), and four equivalent Fe(18) atoms. There are four inequivalent Mo sites. In the first Mo site, Mo(1) is bonded in a 14-coordinate geometry to one Y(2), one Mo(4), one Fe(10), one Fe(7), two equivalent Fe(13), two equivalent Fe(17), two equivalent Fe(21), two equivalent Fe(24), and two equivalent Fe(4) atoms. In the second Mo site, Mo(2) is bonded in a 14-coordinate geometry to one Y(3), one Fe(11), one Fe(19), one Fe(8), two equivalent Fe(14), two equivalent Fe(18), two equivalent Fe(22), two equivalent Fe(25), and two equivalent Fe(5) atoms. In the third Mo site, Mo(3) is bonded in a 14-coordinate geometry to one Y(1), one Fe(12), one Fe(20), one Fe(9), two equivalent Fe(15), two equivalent Fe(16), two equivalent Fe(23), two equivalent Fe(26), and two equivalent Fe(6) atoms. In the fourth Mo site, Mo(4) is bonded in a 14-coordinate geometry to one Y(1), one Mo(1), one Fe(10), one Fe(7), two equivalent Fe(1), two equivalent Fe(13), two equivalent Fe(16), two equivalent Fe(21), and two equivalent Fe(24) atoms. There are twenty-six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Mo(4), one Fe(10), one Fe(21), one Fe(24), one Fe(9), two equivalent Fe(13), and two equivalent Fe(16) atoms. In the second Fe site, Fe(2) is bonded to two equivalent Y(2), one Fe(11), one Fe(22), one Fe(25), one Fe(7), two equivalent Fe(14), two equivalent Fe(17), and two equivalent Fe(19) atoms to form distorted FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(7)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(17)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(18)Y2Fe9Mo cuboctahedra, edges with two equivalent Fe(2)Y2Fe10 cuboctahedra, edges with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(17)Y2Fe9Mo cuboctahedra,  a faceface with one Fe(7)Y2Fe8Mo2 cuboctahedra, faces with four equivalent Fe(14)Y2Fe9Mo cuboctahedra, and faces with four equivalent Fe(17)Y2Fe9Mo cuboctahedra. In the third Fe site, Fe(3) is bonded to two equivalent Y(3), one Fe(12), one Fe(23), one Fe(26), one Fe(8), two equivalent Fe(15), two equivalent Fe(18), and two equivalent Fe(20) atoms to form distorted FeY2Fe10 cuboctahedra that share corners with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(18)Y2Fe9Mo cuboctahedra, edges with two equivalent Fe(3)Y2Fe10 cuboctahedra, edges with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, edges with two equivalent Fe(18)Y2Fe9Mo cuboctahedra, faces with four equivalent Fe(15)Y2Fe9Mo cuboctahedra, and faces with four equivalent Fe(18)Y2Fe9Mo cuboctahedra. In the fourth Fe site, Fe(4) is bonded in a 12-coordinate geometry to two equivalent Y(2), two equivalent Mo(1), one Fe(11), one Fe(21), one Fe(24), one Fe(7), two equivalent Fe(13), and two equivalent Fe(17) atoms. In the fifth Fe site, Fe(5) is bonded in a 12-coordinate geometry to two equivalent Y(3), two equivalent Mo(2), one Fe(12), one Fe(22), one Fe(25), one Fe(8), two equivalent Fe(14), and two equivalent Fe(18) atoms. In the sixth Fe site, Fe(6) is bonded in a 12-coordinate geometry to two equivalent Y(1), two equivalent Mo(3), one Fe(10), one Fe(23), one Fe(26), one Fe(9), two equivalent Fe(15), and two equivalent Fe(16) atoms. In the seventh Fe site, Fe(7) is bonded to two equivalent Y(2), one Mo(1), one Mo(4), one Fe(2), one Fe(4), two equivalent Fe(13), two equivalent Fe(17), and two equivalent Fe(24) atoms to form distorted FeY2Fe8Mo2 cuboctahedra that share corners with two equivalent Fe(2)Y2Fe10 cuboctahedra, corners with two equivalent Fe(10)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(17)Y2Fe9Mo cuboctahedra,  an edgeedge with one Fe(10)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(7)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, edges with two equivalent Fe(17)Y2Fe9Mo cuboctahedra,  a faceface with one Fe(2)Y2Fe10 cuboctahedra, faces with four equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, and faces with four equivalent Fe(17)Y2Fe9Mo cuboctahedra. In the eighth Fe site, Fe(8) is bonded in a 12-coordinate geometry to two equivalent Y(3), one Mo(2), one Fe(19), one Fe(3), one Fe(5), two equivalent Fe(14), two equivalent Fe(18), and two equivalent Fe(25) atoms. In the ninth Fe site, Fe(9) is bonded in a 12-coordinate geometry to two equivalent Y(1), one Mo(3), one Fe(1), one Fe(20), one Fe(6), two equivalent Fe(15), two equivalent Fe(16), and two equivalent Fe(26) atoms. In the tenth Fe site, Fe(10) is bonded to two equivalent Y(1), one Mo(1), one Mo(4), one Fe(1), one Fe(6), two equivalent Fe(13), two equivalent Fe(16), and two equivalent Fe(21) atoms to form distorted FeY2Fe8Mo2 cuboctahedra that share corners with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(7)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(17)Y2Fe9Mo cuboctahedra,  an edgeedge with one Fe(7)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(10)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, faces with four equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, and faces with four equivalent Fe(16)Y2Fe8Mo2 cuboctahedra. In the eleventh Fe site, Fe(11) is bonded in a 12-coordinate geometry to two equivalent Y(2), one Mo(2), one Fe(19), one Fe(2), one Fe(4), two equivalent Fe(14), two equivalent Fe(17), and two equivalent Fe(22) atoms. In the twelfth Fe site, Fe(12) is bonded in a 12-coordinate geometry to two equivalent Y(3), one Mo(3), one Fe(20), one Fe(3), one Fe(5), two equivalent Fe(15), two equivalent Fe(18), and two equivalent Fe(23) atoms. In the thirteenth Fe site, Fe(13) is bonded to one Y(1), one Y(2), one Mo(1), one Mo(4), one Fe(1), one Fe(10), one Fe(21), one Fe(24), one Fe(4), one Fe(7), and two equivalent Fe(13) atoms to form distorted FeY2Fe8Mo2 cuboctahedra that share  a cornercorner with one Fe(2)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(10)Y2Fe8Mo2 cuboctahedra,  a cornercorner with one Fe(7)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(17)Y2Fe9Mo cuboctahedra,  an edgeedge with one Fe(2)Y2Fe10 cuboctahedra, edges with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(17)Y2Fe9Mo cuboctahedra, faces with two equivalent Fe(10)Y2Fe8Mo2 cuboctahedra, faces with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, faces with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, faces with two equivalent Fe(7)Y2Fe8Mo2 cuboctahedra, and faces with two equivalent Fe(17)Y2Fe9Mo cuboctahedra. In the fourteenth Fe site, Fe(14) is bonded to one Y(2), one Y(3), one Mo(2), one Fe(11), one Fe(19), one Fe(2), one Fe(22), one Fe(25), one Fe(5), one Fe(8), and two equivalent Fe(14) atoms to form distorted FeY2Fe9Mo cuboctahedra that share  a cornercorner with one Fe(2)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(3)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(7)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(17)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(18)Y2Fe9Mo cuboctahedra,  an edgeedge with one Fe(3)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(17)Y2Fe9Mo cuboctahedra, edges with two equivalent Fe(18)Y2Fe9Mo cuboctahedra, faces with two equivalent Fe(2)Y2Fe10 cuboctahedra, faces with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, faces with two equivalent Fe(17)Y2Fe9Mo cuboctahedra, and faces with two equivalent Fe(18)Y2Fe9Mo cuboctahedra. In the fifteenth Fe site, Fe(15) is bonded to one Y(1), one Y(3), one Mo(3), one Fe(12), one Fe(20), one Fe(23), one Fe(26), one Fe(3), one Fe(6), one Fe(9), and two equivalent Fe(15) atoms to form distorted FeY2Fe9Mo cuboctahedra that share  a cornercorner with one Fe(3)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(10)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(18)Y2Fe9Mo cuboctahedra,  an edgeedge with one Fe(10)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(18)Y2Fe9Mo cuboctahedra, faces with two equivalent Fe(3)Y2Fe10 cuboctahedra, faces with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, faces with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, and faces with two equivalent Fe(18)Y2Fe9Mo cuboctahedra. In the sixteenth Fe site, Fe(16) is bonded to two equivalent Y(1), one Mo(3), one Mo(4), one Fe(1), one Fe(10), one Fe(21), one Fe(26), one Fe(6), one Fe(9), and two equivalent Fe(16) atoms to form distorted FeY2Fe8Mo2 cuboctahedra that share  a cornercorner with one Fe(3)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(10)Y2Fe8Mo2 cuboctahedra,  a cornercorner with one Fe(7)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, corners with six equivalent Fe(16)Y2Fe8Mo2 cuboctahedra,  an edgeedge with one Fe(10)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, faces with two equivalent Fe(10)Y2Fe8Mo2 cuboctahedra, faces with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, faces with two equivalent Fe(16)Y2Fe8Mo2 cuboctahedra, and faces with two equivalent Fe(15)Y2Fe9Mo cuboctahedra. In the seventeenth Fe site, Fe(17) is bonded to two equivalent Y(2), one Mo(1), one Fe(11), one Fe(19), one Fe(2), one Fe(22), one Fe(24), one Fe(4), one Fe(7), and two equivalent Fe(17) atoms to form distorted FeY2Fe9Mo cuboctahedra that share  a cornercorner with one Fe(2)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(10)Y2Fe8Mo2 cuboctahedra,  a cornercorner with one Fe(7)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, corners with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, corners with six equivalent Fe(17)Y2Fe9Mo cuboctahedra,  an edgeedge with one Fe(2)Y2Fe10 cuboctahedra,  an edgeedge with one Fe(7)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, edges with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, faces with two equivalent Fe(2)Y2Fe10 cuboctahedra, faces with two equivalent Fe(13)Y2Fe8Mo2 cuboctahedra, faces with two equivalent Fe(7)Y2Fe8Mo2 cuboctahedra, faces with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, and faces with two equivalent Fe(17)Y2Fe9Mo cuboctahedra. In the eighteenth Fe site, Fe(18) is bonded to two equivalent Y(3), one Mo(2), one Fe(12), one Fe(20), one Fe(23), one Fe(25), one Fe(3), one Fe(5), one Fe(8), and two equivalent Fe(18) atoms to form distorted FeY2Fe9Mo cuboctahedra that share  a cornercorner with one Fe(2)Y2Fe10 cuboctahedra,  a cornercorner with one Fe(3)Y2Fe10 cuboctahedra, corners with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, corners with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, corners with six equivalent Fe(18)Y2Fe9Mo cuboctahedra,  an edgeedge with one Fe(3)Y2Fe10 cuboctahedra, edges with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, edges with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, faces with two equivalent Fe(3)Y2Fe10 cuboctahedra, faces with two equivalent Fe(14)Y2Fe9Mo cuboctahedra, faces with two equivalent Fe(15)Y2Fe9Mo cuboctahedra, and faces with two equivalent Fe(18)Y2Fe9Mo cuboctahedra. In the nineteenth Fe site, Fe(19) is bonded in a distorted single-bond geometry to one Y(2), one Mo(2), one Fe(11), one Fe(8), two equivalent Fe(14), two equivalent Fe(17), two equivalent Fe(2), two equivalent Fe(22), and two equivalent Fe(25) atoms. In the twentieth Fe site, Fe(20) is bonded in a distorted single-bond geometry to one Y(3), one Mo(3), one Fe(12), one Fe(9), two equivalent Fe(15), two equivalent Fe(18), two equivalent Fe(23), two equivalent Fe(26), and two equivalent Fe(3) atoms. In the twenty-first Fe site, Fe(21) is bonded in a 14-coordinate geometry to one Y(1), two equivalent Mo(1), two equivalent Mo(4), one Fe(1), one Fe(24), one Fe(4), two equivalent Fe(10), two equivalent Fe(13), and two equivalent Fe(16) atoms. In the twenty-second Fe site, Fe(22) is bonded in a 14-coordinate geometry to one Y(2), two equivalent Mo(2), one Fe(2), one Fe(25), one Fe(5), two equivalent Fe(11), two equivalent Fe(14), two equivalent Fe(17), and two equivalent Fe(19) atoms. In the twenty-third Fe site, Fe(23) is bonded in a 14-coordinate geometry to one Y(3), two equivalent Mo(3), one Fe(26), one Fe(3), one Fe(6), two equivalent Fe(12), two equivalent Fe(15), two equivalent Fe(18), and two equivalent Fe(20) atoms. In the twenty-fourth Fe site, Fe(24) is bonded in a 14-coordinate geometry to one Y(2), two equivalent Mo(1), two equivalent Mo(4), one Fe(1), one Fe(21), one Fe(4), two equivalent Fe(13), two equivalent Fe(17), and two equivalent Fe(7) atoms. In the twenty-fifth Fe site, Fe(25) is bonded in a 14-coordinate geometry to one Y(3), two equivalent Mo(2), one Fe(2), one Fe(22), one Fe(5), two equivalent Fe(14), two equivalent Fe(18), two equivalent Fe(19), and two equivalent Fe(8) atoms. In the twenty-sixth Fe site, Fe(26) is bonded in a 14-coordinate geometry to one Y(1), two equivalent Mo(3), one Fe(23), one Fe(3), one Fe(6), two equivalent Fe(15), two equivalent Fe(16), two equivalent Fe(20), and two equivalent Fe(9) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Y3(Fe8Mo)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.733
_cell_length_b   6.479
_cell_length_c   18.231
_cell_angle_alpha   93.111
_cell_angle_beta   82.542
_cell_angle_gamma   111.420
_symmetry_Int_Tables_number   1
_cell_volume   515.979
_cell_formula_units_Z   1
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
  Y  Y0  1  0.000  0.000  1.000  1.0
  Y  Y1  1  0.329  0.994  0.336  1.0
  Y  Y2  1  0.663  0.994  0.669  1.0
  Fe  Fe3  1  0.350  0.775  0.075  1.0
  Fe  Fe4  1  0.681  0.771  0.410  1.0
  Fe  Fe5  1  0.014  0.771  0.743  1.0
  Fe  Fe6  1  0.983  0.225  0.258  1.0
  Fe  Fe7  1  0.319  0.228  0.591  1.0
  Fe  Fe8  1  0.652  0.227  0.924  1.0
  Fe  Fe9  1  0.760  0.781  0.260  1.0
  Fe  Fe10  1  0.094  0.779  0.592  1.0
  Fe  Fe11  1  0.426  0.778  0.925  1.0
  Fe  Fe12  1  0.573  0.220  0.073  1.0
  Fe  Fe13  1  0.908  0.224  0.407  1.0
  Fe  Fe14  1  0.242  0.224  0.740  1.0
  Fe  Fe15  1  0.167  0.000  0.167  1.0
  Fe  Fe16  1  0.498  0.998  0.500  1.0
  Fe  Fe17  1  0.831  0.998  0.833  1.0
  Fe  Fe18  1  0.666  0.000  0.167  1.0
  Fe  Fe19  1  1.000  0.998  0.500  1.0
  Fe  Fe20  1  0.333  0.998  0.833  1.0
  Fe  Fe21  1  0.001  0.499  0.999  1.0
  Fe  Fe22  1  0.331  0.501  0.335  1.0
  Fe  Fe23  1  0.665  0.499  0.667  1.0
  Fe  Fe24  1  0.499  0.499  0.999  1.0
  Fe  Fe25  1  0.835  0.501  0.335  1.0
  Fe  Fe26  1  0.167  0.499  0.667  1.0
  Fe  Fe27  1  0.094  0.641  0.453  1.0
  Fe  Fe28  1  0.428  0.641  0.786  1.0
  Fe  Fe29  1  0.119  0.358  0.119  1.0
  Fe  Fe30  1  0.453  0.360  0.453  1.0
  Fe  Fe31  1  0.787  0.360  0.786  1.0
  Fe  Fe32  1  0.214  0.641  0.214  1.0
  Fe  Fe33  1  0.547  0.642  0.547  1.0
  Fe  Fe34  1  0.881  0.642  0.880  1.0
  Mo  Mo35  1  0.571  0.358  0.216  1.0
  Mo  Mo36  1  0.911  0.366  0.544  1.0
  Mo  Mo37  1  0.245  0.366  0.877  1.0
  Mo  Mo38  1  0.762  0.643  0.118  1.0
[/CIF]
.