data_Tb3RuO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   69.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3RuO7
_chemical_formula_sum   'Tb6 Ru2 O14'
_cell_volume   287.69
_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
  Tb  Tb0  1  0.28  0.0  0.71  1.0
  Tb  Tb1  1  0.28  0.0  0.0  1.0
  Tb  Tb2  1  0.36  0.52  0.86  1.0
  Tb  Tb3  1  0.36  0.48  0.57  1.0
  Tb  Tb4  1  0.2  0.48  0.57  1.0
  Tb  Tb5  1  0.2  0.52  0.86  1.0
  Ru  Ru6  1  0.0  0.0  0.71  1.0
  Ru  Ru7  1  0.0  0.0  0.0  1.0
  O  O8  1  0.63  0.26  0.0  1.0
  O  O9  1  0.63  0.74  0.43  1.0
  O  O10  1  0.63  0.26  0.14  1.0
  O  O11  1  0.63  0.74  0.29  1.0
  O  O12  1  0.93  0.74  0.43  1.0
  O  O13  1  0.93  0.26  0.0  1.0
  O  O14  1  0.93  0.74  0.29  1.0
  O  O15  1  0.93  0.26  0.14  1.0
  O  O16  1  0.69  0.18  0.86  1.0
  O  O17  1  0.69  0.82  0.57  1.0
  O  O18  1  0.88  0.82  0.57  1.0
  O  O19  1  0.88  0.18  0.86  1.0
  O  O20  1  0.28  0.01  0.86  1.0
  O  O21  1  0.28  0.99  0.57  1.0

data_Tb3RuO7
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.43
_cell_length_b   6.43
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tb3RuO7
_chemical_formula_sum   'Tb6 Ru2 O14'
_cell_volume   287.69
_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
  Tb  Tb0  1  0.2  0.48  0.14  1.0
  Tb  Tb1  1  0.2  0.52  0.43  1.0
  Tb  Tb2  1  0.28  0.0  0.0  1.0
  Tb  Tb3  1  0.28  0.0  0.29  1.0
  Tb  Tb4  1  0.36  0.52  0.43  1.0
  Tb  Tb5  1  0.36  0.48  0.14  1.0
  Ru  Ru6  1  0.0  0.0  0.0  1.0
  Ru  Ru7  1  0.0  0.0  0.29  1.0
  O  O8  1  0.28  0.99  0.14  1.0
  O  O9  1  0.28  0.01  0.43  1.0
  O  O10  1  0.63  0.26  0.57  1.0
  O  O11  1  0.63  0.26  0.71  1.0
  O  O12  1  0.63  0.74  0.86  1.0
  O  O13  1  0.63  0.74  1.0  1.0
  O  O14  1  0.69  0.18  0.43  1.0
  O  O15  1  0.69  0.82  0.14  1.0
  O  O16  1  0.88  0.18  0.43  1.0
  O  O17  1  0.88  0.82  0.14  1.0
  O  O18  1  0.93  0.26  0.57  1.0
  O  O19  1  0.93  0.26  0.71  1.0
  O  O20  1  0.93  0.74  0.86  1.0
  O  O21  1  0.93  0.74  1.0  1.0

Tb Tb Tb Tb Tb Tb Ru Ru O O O O O O O O O O O O O O
Tb3RuO7 crystallizes in the triclinic P1 space group. There are six inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a distorted linear geometry to one Ru(1), one O(10), one O(13), and one O(14) atom. The Tb(1)-Ru(1) bond length is 1.81 Å. The Tb(1)-O(10) bond length is 2.66 Å. The Tb(1)-O(13) bond length is 1.06 Å. The Tb(1)-O(14) bond length is 1.06 Å. In the second Tb site, Tb(2) is bonded in a distorted single-bond geometry to one Ru(2), one O(13), one O(4), and one O(8) atom. The Tb(2)-Ru(2) bond length is 1.81 Å. The Tb(2)-O(13) bond length is 1.06 Å. The Tb(2)-O(4) bond length is 3.15 Å. The Tb(2)-O(8) bond length is 2.54 Å. In the third Tb site, Tb(3) is bonded in a 3-coordinate geometry to one Tb(4), one Tb(6), one O(1), and one O(9) atom. The Tb(3)-Tb(4) bond length is 2.13 Å. The Tb(3)-Tb(6) bond length is 1.05 Å. The Tb(3)-O(1) bond length is 2.21 Å. The Tb(3)-O(9) bond length is 2.43 Å. In the fourth Tb site, Tb(4) is bonded in a 5-coordinate geometry to one Tb(3), one Tb(5), one O(14), one O(2), and one O(9) atom. The Tb(4)-Tb(5) bond length is 1.05 Å. The Tb(4)-O(14) bond length is 3.11 Å. The Tb(4)-O(2) bond length is 2.97 Å. The Tb(4)-O(9) bond length is 3.13 Å. In the fifth Tb site, Tb(5) is bonded in a 5-coordinate geometry to one Tb(4), one Tb(6), one O(11), one O(14), and one O(5) atom. The Tb(5)-Tb(6) bond length is 2.13 Å. The Tb(5)-O(11) bond length is 2.43 Å. The Tb(5)-O(14) bond length is 3.03 Å. The Tb(5)-O(5) bond length is 2.21 Å. In the sixth Tb site, Tb(6) is bonded in a 2-coordinate geometry to one Tb(3), one Tb(5), and one O(6) atom. The Tb(6)-O(6) bond length is 2.97 Å. There are two inequivalent Ru sites. In the first Ru site, Ru(1) is bonded in a 3-coordinate geometry to one Tb(1), one O(11), and one O(12) atom. The Ru(1)-O(11) bond length is 1.91 Å. The Ru(1)-O(12) bond length is 1.55 Å. In the second Ru site, Ru(2) is bonded in a 3-coordinate geometry to one Tb(2), one O(12), one O(6), and one O(8) atom. The Ru(2)-O(12) bond length is 1.55 Å. The Ru(2)-O(6) bond length is 1.60 Å. The Ru(2)-O(8) bond length is 1.91 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Tb(3), one O(3), and one O(9) atom. The O(1)-O(3) bond length is 1.03 Å. The O(1)-O(9) bond length is 1.21 Å. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Tb(4), one O(10), and one O(4) atom. The O(2)-O(10) bond length is 1.31 Å. The O(2)-O(4) bond length is 1.03 Å. In the third O site, O(3) is bonded in a distorted single-bond geometry to one O(1) and one O(8) atom. The O(3)-O(8) bond length is 1.89 Å. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Tb(2), one O(2), and one O(7) atom. The O(4)-O(7) bond length is 1.89 Å. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Tb(5), one O(11), and one O(7) atom. The O(5)-O(11) bond length is 1.21 Å. The O(5)-O(7) bond length is 1.03 Å. In the sixth O site, O(6) is bonded in a 1-coordinate geometry to one Tb(6), one Ru(2), and one O(8) atom. The O(6)-O(8) bond length is 1.03 Å. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Tb(2), one Ru(2), one O(3), and one O(6) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Tb(3), one Tb(4), one O(1), and one O(12) atom. The O(9)-O(12) bond length is 1.23 Å. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Tb(1), one O(11), and one O(2) atom. The O(10)-O(11) bond length is 1.23 Å. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one Tb(5), one Ru(1), one O(10), and one O(5) atom. In the twelfth O site, O(12) is bonded in a 2-coordinate geometry to one Ru(1), one Ru(2), and one O(9) atom. In the thirteenth O site, O(13) is bonded in a linear geometry to one Tb(1) and one Tb(2) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Tb(1), one Tb(4), and one Tb(5) atom.