The material structure described by BaU3O14 crystallizes in the monoclinic Pc space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(13), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are three inequivalent U sites. In the first U site, U(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(7), one O(8), and one O(9) atom. In the second U site, U(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(7), and one O(8) atom. In the third U site, U(3) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are fourteen inequivalent O sites. In the first O site, O(13) is bonded in a bent 120 degrees geometry to one Ba(1) and one O(14) atom. In the second O site, O(14) is bonded in a bent 120 degrees geometry to one O(12) and one O(13) atom. In the third O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one U(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1) and one U(1) atom. In the fifth O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one U(2) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1) and one U(2) atom. In the seventh O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1) and one U(3) atom. In the eighth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one U(3) atom. In the ninth O site, O(7) is bonded in a distorted trigonal planar geometry to one Ba(1), one U(1), one U(2), and one U(3) atom. In the tenth O site, O(8) is bonded in a 3-coordinate geometry to one U(1), one U(2), and one U(3) atom. In the eleventh O site, O(9) is bonded in a distorted bent 150 degrees geometry to one U(1) and one U(3) atom. In the twelfth O site, O(10) is bonded in a 3-coordinate geometry to one U(1), one U(2), and one U(3) atom. In the thirteenth O site, O(11) is bonded in a trigonal planar geometry to one U(1), one U(2), and one U(3) atom. In the fourteenth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one O(14) atom. is represented by the CIF card [CIF]
data_BaU3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.974
_cell_length_b   7.382
_cell_length_c   11.830
_cell_angle_alpha   90.000
_cell_angle_beta   90.198
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   609.049
_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
  Ba  Ba0  1  0.189  0.509  0.514  1.0
  Ba  Ba1  1  0.689  0.491  0.014  1.0
  U  U2  1  0.501  0.979  0.502  1.0
  U  U3  1  0.001  0.021  0.002  1.0
  U  U4  1  0.034  0.980  0.683  1.0
  U  U5  1  0.534  0.020  0.183  1.0
  U  U6  1  0.002  0.989  0.363  1.0
  U  U7  1  0.502  0.011  0.863  1.0
  O  O8  1  0.513  0.729  0.488  1.0
  O  O9  1  0.013  0.271  0.988  1.0
  O  O10  1  0.461  0.228  0.503  1.0
  O  O11  1  0.961  0.772  0.003  1.0
  O  O12  1  0.027  0.728  0.691  1.0
  O  O13  1  0.527  0.272  0.191  1.0
  O  O14  1  0.079  0.226  0.662  1.0
  O  O15  1  0.579  0.774  0.162  1.0
  O  O16  1  0.982  0.738  0.356  1.0
  O  O17  1  0.482  0.262  0.856  1.0
  O  O18  1  0.021  0.235  0.393  1.0
  O  O19  1  0.521  0.765  0.893  1.0
  O  O20  1  0.181  0.931  0.518  1.0
  O  O21  1  0.681  0.069  0.018  1.0
  O  O22  1  0.811  0.986  0.553  1.0
  O  O23  1  0.311  0.014  0.053  1.0
  O  O24  1  0.438  0.973  0.685  1.0
  O  O25  1  0.938  0.027  0.185  1.0
  O  O26  1  0.313  0.984  0.312  1.0
  O  O27  1  0.813  0.016  0.812  1.0
  O  O28  1  0.681  0.009  0.348  1.0
  O  O29  1  0.181  0.991  0.848  1.0
  O  O30  1  0.294  0.534  0.241  1.0
  O  O31  1  0.794  0.466  0.741  1.0
  O  O32  1  0.492  0.520  0.701  1.0
  O  O33  1  0.992  0.480  0.201  1.0
  O  O34  1  0.659  0.469  0.667  1.0
  O  O35  1  0.159  0.531  0.167  1.0
[/CIF]
.
The material structure described by BaU3O14 crystallizes in the monoclinic Pc space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(12), one O(13), one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. There are three inequivalent U sites. In the first U site, U(1) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(2), one O(7), one O(8), and one O(9) atom. In the second U site, U(2) is bonded in a 6-coordinate geometry to one O(10), one O(11), one O(3), one O(4), one O(7), and one O(8) atom. In the third U site, U(3) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are fourteen inequivalent O sites. In the first O site, O(13) is bonded in a bent 120 degrees geometry to one Ba(1) and one O(14) atom. In the second O site, O(14) is bonded in a bent 120 degrees geometry to one O(12) and one O(13) atom. In the third O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one U(1) atom. In the fourth O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1) and one U(1) atom. In the fifth O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one U(2) atom. In the sixth O site, O(4) is bonded in a distorted single-bond geometry to one Ba(1) and one U(2) atom. In the seventh O site, O(5) is bonded in a distorted single-bond geometry to one Ba(1) and one U(3) atom. In the eighth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one U(3) atom. In the ninth O site, O(7) is bonded in a distorted trigonal planar geometry to one Ba(1), one U(1), one U(2), and one U(3) atom. In the tenth O site, O(8) is bonded in a 3-coordinate geometry to one U(1), one U(2), and one U(3) atom. In the eleventh O site, O(9) is bonded in a distorted bent 150 degrees geometry to one U(1) and one U(3) atom. In the twelfth O site, O(10) is bonded in a 3-coordinate geometry to one U(1), one U(2), and one U(3) atom. In the thirteenth O site, O(11) is bonded in a trigonal planar geometry to one U(1), one U(2), and one U(3) atom. In the fourteenth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Ba(1) and one O(14) atom. is represented by the CIF card [CIF]
data_BaU3O14
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.974
_cell_length_b   7.382
_cell_length_c   11.830
_cell_angle_alpha   90.000
_cell_angle_beta   90.198
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   609.049
_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
  Ba  Ba0  1  0.189  0.509  0.514  1.0
  Ba  Ba1  1  0.689  0.491  0.014  1.0
  U  U2  1  0.501  0.979  0.502  1.0
  U  U3  1  0.001  0.021  0.002  1.0
  U  U4  1  0.034  0.980  0.683  1.0
  U  U5  1  0.534  0.020  0.183  1.0
  U  U6  1  0.002  0.989  0.363  1.0
  U  U7  1  0.502  0.011  0.863  1.0
  O  O8  1  0.513  0.729  0.488  1.0
  O  O9  1  0.013  0.271  0.988  1.0
  O  O10  1  0.461  0.228  0.503  1.0
  O  O11  1  0.961  0.772  0.003  1.0
  O  O12  1  0.027  0.728  0.691  1.0
  O  O13  1  0.527  0.272  0.191  1.0
  O  O14  1  0.079  0.226  0.662  1.0
  O  O15  1  0.579  0.774  0.162  1.0
  O  O16  1  0.982  0.738  0.356  1.0
  O  O17  1  0.482  0.262  0.856  1.0
  O  O18  1  0.021  0.235  0.393  1.0
  O  O19  1  0.521  0.765  0.893  1.0
  O  O20  1  0.181  0.931  0.518  1.0
  O  O21  1  0.681  0.069  0.018  1.0
  O  O22  1  0.811  0.986  0.553  1.0
  O  O23  1  0.311  0.014  0.053  1.0
  O  O24  1  0.438  0.973  0.685  1.0
  O  O25  1  0.938  0.027  0.185  1.0
  O  O26  1  0.313  0.984  0.312  1.0
  O  O27  1  0.813  0.016  0.812  1.0
  O  O28  1  0.681  0.009  0.348  1.0
  O  O29  1  0.181  0.991  0.848  1.0
  O  O30  1  0.294  0.534  0.241  1.0
  O  O31  1  0.794  0.466  0.741  1.0
  O  O32  1  0.492  0.520  0.701  1.0
  O  O33  1  0.992  0.480  0.201  1.0
  O  O34  1  0.659  0.469  0.667  1.0
  O  O35  1  0.159  0.531  0.167  1.0
[/CIF]
.