data_U2Si5Tc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.93
_cell_length_b   10.93
_cell_length_c   5.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U2Si5Tc3
_chemical_formula_sum   'U8 Si20 Tc12'
_cell_volume   654.13
_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
  U  U32  1  0.28  0.89  0.0  1.0
  U  U33  1  0.89  0.65  0.0  1.0
  U  U34  1  0.03  0.28  0.0  1.0
  U  U35  1  0.65  0.03  0.0  1.0
  U  U36  1  0.36  0.81  0.74  1.0
  U  U37  1  0.81  0.57  0.74  1.0
  U  U38  1  0.11  0.36  0.74  1.0
  U  U39  1  0.57  0.11  0.74  1.0
  Si  Si0  1  0.48  0.28  0.0  1.0
  Si  Si1  1  0.28  0.45  0.0  1.0
  Si  Si2  1  0.64  0.48  0.0  1.0
  Si  Si3  1  0.45  0.64  0.0  1.0
  Si  Si4  1  0.46  0.46  0.28  1.0
  Si  Si5  1  0.57  0.89  0.37  1.0
  Si  Si6  1  0.03  0.57  0.37  1.0
  Si  Si7  1  0.89  0.36  0.37  1.0
  Si  Si8  1  0.36  0.03  0.37  1.0
  Si  Si9  1  0.0  0.0  0.46  1.0
  Si  Si10  1  0.74  0.01  0.74  1.0
  Si  Si11  1  0.01  0.18  0.74  1.0
  Si  Si12  1  0.91  0.74  0.74  1.0
  Si  Si13  1  0.18  0.91  0.74  1.0
  Si  Si14  1  0.0  0.0  0.02  1.0
  Si  Si15  1  0.57  0.89  0.11  1.0
  Si  Si16  1  0.03  0.57  0.11  1.0
  Si  Si17  1  0.89  0.36  0.11  1.0
  Si  Si18  1  0.36  0.03  0.11  1.0
  Si  Si19  1  0.46  0.46  0.2  1.0
  Tc  Tc20  1  0.56  0.35  0.0  1.0
  Tc  Tc21  1  0.57  0.56  0.0  1.0
  Tc  Tc22  1  0.35  0.37  0.0  1.0
  Tc  Tc23  1  0.37  0.57  0.0  1.0
  Tc  Tc24  1  0.46  0.0  0.37  1.0
  Tc  Tc25  1  0.0  0.46  0.37  1.0
  Tc  Tc26  1  0.11  0.91  0.74  1.0
  Tc  Tc27  1  0.02  0.11  0.74  1.0
  Tc  Tc28  1  0.91  0.81  0.74  1.0
  Tc  Tc29  1  0.81  0.02  0.74  1.0
  Tc  Tc30  1  0.46  0.0  0.11  1.0
  Tc  Tc31  1  0.0  0.46  0.11  1.0

data_U2Si5Tc3
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.48
_cell_length_b   10.93
_cell_length_c   10.93
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   U2Si5Tc3
_chemical_formula_sum   'U8 Si20 Tc12'
_cell_volume   654.13
_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
  U  U0  1  0.0  0.65  0.03  1.0
  U  U1  1  0.0  0.03  0.28  1.0
  U  U2  1  0.0  0.89  0.65  1.0
  U  U3  1  0.0  0.28  0.89  1.0
  U  U4  1  0.74  0.11  0.36  1.0
  U  U5  1  0.74  0.36  0.81  1.0
  U  U6  1  0.74  0.57  0.11  1.0
  U  U7  1  0.74  0.81  0.57  1.0
  Tc  Tc8  1  0.0  0.57  0.56  1.0
  Tc  Tc9  1  0.0  0.56  0.35  1.0
  Tc  Tc10  1  0.0  0.37  0.57  1.0
  Si  Si11  1  0.0  0.45  0.64  1.0
  Si  Si12  1  0.0  0.64  0.48  1.0
  Tc  Tc13  1  0.0  0.35  0.37  1.0
  Si  Si14  1  0.0  0.28  0.45  1.0
  Si  Si15  1  0.0  0.48  0.28  1.0
  Si  Si16  1  0.02  0.0  0.0  1.0
  Tc  Tc17  1  0.11  0.0  0.46  1.0
  Si  Si18  1  0.11  0.03  0.57  1.0
  Si  Si19  1  0.11  0.36  0.03  1.0
  Tc  Tc20  1  0.11  0.46  0.0  1.0
  Si  Si21  1  0.11  0.57  0.89  1.0
  Si  Si22  1  0.11  0.89  0.36  1.0
  Si  Si23  1  0.2  0.46  0.46  1.0
  Si  Si24  1  0.28  0.46  0.46  1.0
  Tc  Tc25  1  0.37  0.0  0.46  1.0
  Si  Si26  1  0.37  0.03  0.57  1.0
  Si  Si27  1  0.37  0.36  0.03  1.0
  Tc  Tc28  1  0.37  0.46  0.0  1.0
  Si  Si29  1  0.37  0.57  0.89  1.0
  Si  Si30  1  0.37  0.89  0.36  1.0
  Si  Si31  1  0.46  0.0  0.0  1.0
  Si  Si32  1  0.74  0.01  0.18  1.0
  Tc  Tc33  1  0.74  0.02  0.11  1.0
  Tc  Tc34  1  0.74  0.11  0.91  1.0
  Si  Si35  1  0.74  0.18  0.91  1.0
  Si  Si36  1  0.74  0.74  0.01  1.0
  Tc  Tc37  1  0.74  0.81  0.02  1.0
  Tc  Tc38  1  0.74  0.91  0.81  1.0
  Si  Si39  1  0.74  0.91  0.74  1.0

U U U U U U U U Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Si Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc Tc
U2Tc3Si5 crystallizes in the triclinic P1 space group. There are eight inequivalent U sites. In the first U site, U(1) is bonded in a distorted bent 120 degrees geometry to one U(5), one Si(14), one Si(15), and one Si(19) atom. The U(1)-U(5) bond length is 1.89 Å. The U(1)-Si(14) bond length is 1.78 Å. The U(1)-Si(15) bond length is 3.25 Å. The U(1)-Si(19) bond length is 1.85 Å. In the second U site, U(2) is bonded in a distorted bent 120 degrees geometry to one U(6), one Si(13), and one Si(17) atom. The U(2)-U(6) bond length is 1.89 Å. The U(2)-Si(13) bond length is 1.78 Å. The U(2)-Si(17) bond length is 1.85 Å. In the third U site, U(3) is bonded in a 2-coordinate geometry to one U(7), one Tc(12), one Si(12), one Si(15), and one Si(18) atom. The U(3)-U(7) bond length is 1.89 Å. The U(3)-Tc(12) bond length is 2.14 Å. The U(3)-Si(12) bond length is 1.78 Å. The U(3)-Si(15) bond length is 3.05 Å. The U(3)-Si(18) bond length is 1.85 Å. In the fourth U site, U(4) is bonded in a 4-coordinate geometry to one U(8), one Tc(11), one Si(11), and one Si(16) atom. The U(4)-U(8) bond length is 1.89 Å. The U(4)-Tc(11) bond length is 2.14 Å. The U(4)-Si(11) bond length is 1.78 Å. The U(4)-Si(16) bond length is 1.85 Å. In the fifth U site, U(5) is bonded in a 3-coordinate geometry to one U(1), one Si(14), and one Si(4) atom. The U(5)-Si(14) bond length is 2.20 Å. The U(5)-Si(4) bond length is 2.55 Å. In the sixth U site, U(6) is bonded in a 3-coordinate geometry to one U(2), one Si(13), and one Si(3) atom. The U(6)-Si(13) bond length is 2.20 Å. The U(6)-Si(3) bond length is 2.55 Å. In the seventh U site, U(7) is bonded in a 5-coordinate geometry to one U(3), one Tc(12), one Tc(6), one Si(12), and one Si(2) atom. The U(7)-Tc(12) bond length is 2.63 Å. The U(7)-Tc(6) bond length is 2.63 Å. The U(7)-Si(12) bond length is 2.20 Å. The U(7)-Si(2) bond length is 2.55 Å. In the eighth U site, U(8) is bonded in a 5-coordinate geometry to one U(4), one Tc(11), one Tc(5), one Si(1), and one Si(11) atom. The U(8)-Tc(11) bond length is 2.63 Å. The U(8)-Tc(5) bond length is 2.63 Å. The U(8)-Si(1) bond length is 2.55 Å. The U(8)-Si(11) bond length is 2.20 Å. There are twelve inequivalent Tc sites. In the first Tc site, Tc(1) is bonded in a 3-coordinate geometry to one Si(1), one Si(20), and one Si(3) atom. The Tc(1)-Si(1) bond length is 1.16 Å. The Tc(1)-Si(20) bond length is 1.94 Å. The Tc(1)-Si(3) bond length is 1.67 Å. In the second Tc site, Tc(2) is bonded in a 3-coordinate geometry to one Si(20), one Si(3), and one Si(4) atom. The Tc(2)-Si(20) bond length is 1.94 Å. The Tc(2)-Si(3) bond length is 1.16 Å. The Tc(2)-Si(4) bond length is 1.67 Å. In the third Tc site, Tc(3) is bonded in a 3-coordinate geometry to one Si(1), one Si(2), and one Si(20) atom. The Tc(3)-Si(1) bond length is 1.67 Å. The Tc(3)-Si(2) bond length is 1.16 Å. The Tc(3)-Si(20) bond length is 1.94 Å. In the fourth Tc site, Tc(4) is bonded in a 3-coordinate geometry to one Si(2), one Si(20), and one Si(4) atom. The Tc(4)-Si(2) bond length is 1.67 Å. The Tc(4)-Si(20) bond length is 1.94 Å. The Tc(4)-Si(4) bond length is 1.16 Å. In the fifth Tc site, Tc(5) is bonded in a 4-coordinate geometry to one U(8), one Tc(11), one Si(6), and one Si(9) atom. The Tc(5)-Tc(11) bond length is 1.43 Å. The Tc(5)-Si(6) bond length is 1.66 Å. The Tc(5)-Si(9) bond length is 1.23 Å. In the sixth Tc site, Tc(6) is bonded in a 4-coordinate geometry to one U(7), one Tc(12), one Si(7), and one Si(8) atom. The Tc(6)-Tc(12) bond length is 1.43 Å. The Tc(6)-Si(7) bond length is 1.23 Å. The Tc(6)-Si(8) bond length is 1.66 Å. In the seventh Tc site, Tc(7) is bonded in a distorted single-bond geometry to one Si(10), one Si(14), and one Si(15) atom. The Tc(7)-Si(10) bond length is 2.19 Å. The Tc(7)-Si(14) bond length is 0.77 Å. The Tc(7)-Si(15) bond length is 2.19 Å. In the eighth Tc site, Tc(8) is bonded in a distorted single-bond geometry to one Si(10), one Si(12), and one Si(15) atom. The Tc(8)-Si(10) bond length is 1.96 Å. The Tc(8)-Si(12) bond length is 0.77 Å. The Tc(8)-Si(15) bond length is 1.96 Å. In the ninth Tc site, Tc(9) is bonded in a single-bond geometry to one Si(10), one Si(13), and one Si(15) atom. The Tc(9)-Si(10) bond length is 2.73 Å. The Tc(9)-Si(13) bond length is 0.77 Å. The Tc(9)-Si(15) bond length is 2.73 Å. In the tenth Tc site, Tc(10) is bonded in a single-bond geometry to one Si(10), one Si(11), and one Si(15) atom. The Tc(10)-Si(10) bond length is 2.54 Å. The Tc(10)-Si(11) bond length is 0.77 Å. The Tc(10)-Si(15) bond length is 2.54 Å. In the eleventh Tc site, Tc(11) is bonded in a 4-coordinate geometry to one U(4), one U(8), one Tc(5), one Si(16), and one Si(19) atom. The Tc(11)-Si(16) bond length is 1.66 Å. The Tc(11)-Si(19) bond length is 1.23 Å. In the twelfth Tc site, Tc(12) is bonded in a 4-coordinate geometry to one U(3), one U(7), one Tc(6), one Si(17), and one Si(18) atom. The Tc(12)-Si(17) bond length is 1.23 Å. The Tc(12)-Si(18) bond length is 1.66 Å. There are twenty inequivalent Si sites. In the first Si site, Si(1) is bonded in a 3-coordinate geometry to one U(8), one Tc(1), and one Tc(3) atom. In the second Si site, Si(2) is bonded in a 3-coordinate geometry to one U(7), one Tc(3), and one Tc(4) atom. In the third Si site, Si(3) is bonded in a 3-coordinate geometry to one U(6), one Tc(1), and one Tc(2) atom. In the fourth Si site, Si(4) is bonded in a 3-coordinate geometry to one U(5), one Tc(2), and one Tc(4) atom. In the fifth Si site, Si(5) is bonded in a single-bond geometry to one Si(20) atom. The Si(5)-Si(20) bond length is 0.40 Å. In the sixth Si site, Si(6) is bonded in a distorted L-shaped geometry to one Tc(5) and one Si(16) atom. The Si(6)-Si(16) bond length is 1.43 Å. In the seventh Si site, Si(7) is bonded in a distorted L-shaped geometry to one Tc(6) and one Si(17) atom. The Si(7)-Si(17) bond length is 1.43 Å. In the eighth Si site, Si(8) is bonded in a distorted L-shaped geometry to one Tc(6) and one Si(18) atom. The Si(8)-Si(18) bond length is 1.43 Å. In the ninth Si site, Si(9) is bonded in a distorted L-shaped geometry to one Tc(5) and one Si(19) atom. The Si(9)-Si(19) bond length is 1.43 Å. In the tenth Si site, Si(10) is bonded in a 5-coordinate geometry to one Tc(10), one Tc(7), one Tc(8), one Tc(9), and one Si(15) atom. The Si(10)-Si(15) bond length is 2.45 Å. In the eleventh Si site, Si(11) is bonded in a 3-coordinate geometry to one U(4), one U(8), and one Tc(10) atom. In the twelfth Si site, Si(12) is bonded in a 3-coordinate geometry to one U(3), one U(7), and one Tc(8) atom. In the thirteenth Si site, Si(13) is bonded in a 3-coordinate geometry to one U(2), one U(6), and one Tc(9) atom. In the fourteenth Si site, Si(14) is bonded in a 3-coordinate geometry to one U(1), one U(5), and one Tc(7) atom. In the fifteenth Si site, Si(15) is bonded in a 7-coordinate geometry to one U(1), one U(3), one Tc(10), one Tc(7), one Tc(8), one Tc(9), and one Si(10) atom. In the sixteenth Si site, Si(16) is bonded in a 3-coordinate geometry to one U(4), one Tc(11), and one Si(6) atom. In the seventeenth Si site, Si(17) is bonded in a distorted trigonal non-coplanar geometry to one U(2), one Tc(12), and one Si(7) atom. In the eighteenth Si site, Si(18) is bonded in a 3-coordinate geometry to one U(3), one Tc(12), and one Si(8) atom. In the nineteenth Si site, Si(19) is bonded in a distorted trigonal non-coplanar geometry to one U(1), one Tc(11), and one Si(9) atom. In the twentieth Si site, Si(20) is bonded in a single-bond geometry to one Tc(1), one Tc(2), one Tc(3), one Tc(4), and one Si(5) atom.