The material described by BaU2P2O19 crystallizes in the monoclinic P2_1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(14), one O(15), one O(18), and one O(6) atom. There are two inequivalent U sites. In the first U site, U(1) is bonded to one O(1), one O(11), one O(3), one O(4), one O(5), and one O(7) atom to form UO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second U site, U(2) is bonded to one O(10), one O(12), one O(2), one O(6), one O(8), and one O(9) atom to form UO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra and corners with two equivalent U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-40°. In the second P site, P(2) is bonded to one O(10), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra and corners with two equivalent U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-53°. There are nineteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1) and one U(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one U(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one U(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one U(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one U(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one U(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one U(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one U(2) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one U(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one U(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one U(1) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Ba(1) and one U(2) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one O(16) and one O(18) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one O(19) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Ba(1) and one O(17) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one O(13) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one O(15) atom. In the eighteenth O site, O(18) is bonded in a water-like geometry to one Ba(1) and one O(13) atom. In the nineteenth O site, O(19) is bonded in a single-bond geometry to one O(14) atom. is represented by the CIF file [CIF]
data_BaU2P2O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.004
_cell_length_b   7.046
_cell_length_c   7.053
_cell_angle_alpha   89.117
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   795.301
_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  0.817  0.206  0.556  1.0
  Ba  Ba1  1  0.317  0.794  0.444  1.0
  U  U2  1  0.568  0.529  0.462  1.0
  U  U3  1  0.068  0.471  0.538  1.0
  U  U4  1  0.674  0.038  0.976  1.0
  U  U5  1  0.174  0.962  0.024  1.0
  P  P6  1  0.622  0.541  0.958  1.0
  P  P7  1  0.122  0.459  0.042  1.0
  P  P8  1  0.617  0.045  0.460  1.0
  P  P9  1  0.117  0.955  0.540  1.0
  O  O10  1  0.681  0.484  0.476  1.0
  O  O11  1  0.181  0.516  0.524  1.0
  O  O12  1  0.562  0.025  0.010  1.0
  O  O13  1  0.062  0.975  0.990  1.0
  O  O14  1  0.574  0.851  0.452  1.0
  O  O15  1  0.074  0.149  0.548  1.0
  O  O16  1  0.552  0.207  0.439  1.0
  O  O17  1  0.052  0.793  0.561  1.0
  O  O18  1  0.564  0.540  0.783  1.0
  O  O19  1  0.064  0.460  0.217  1.0
  O  O20  1  0.688  0.063  0.306  1.0
  O  O21  1  0.188  0.937  0.694  1.0
  O  O22  1  0.570  0.545  0.143  1.0
  O  O23  1  0.070  0.455  0.857  1.0
  O  O24  1  0.680  0.719  0.949  1.0
  O  O25  1  0.180  0.281  0.051  1.0
  O  O26  1  0.678  0.359  0.957  1.0
  O  O27  1  0.178  0.641  0.043  1.0
  O  O28  1  0.664  0.067  0.652  1.0
  O  O29  1  0.164  0.933  0.348  1.0
  O  O30  1  0.452  0.563  0.456  1.0
  O  O31  1  0.952  0.437  0.544  1.0
  O  O32  1  0.787  0.057  0.924  1.0
  O  O33  1  0.287  0.943  0.076  1.0
  O  O34  1  0.847  0.708  0.679  1.0
  O  O35  1  0.347  0.292  0.321  1.0
  O  O36  1  0.918  0.960  0.261  1.0
  O  O37  1  0.418  0.040  0.739  1.0
  O  O38  1  0.851  0.387  0.168  1.0
  O  O39  1  0.351  0.613  0.832  1.0
  O  O40  1  0.895  0.816  0.774  1.0
  O  O41  1  0.395  0.184  0.226  1.0
  O  O42  1  0.399  0.622  0.969  1.0
  O  O43  1  0.899  0.378  0.031  1.0
  O  O44  1  0.810  0.784  0.532  1.0
  O  O45  1  0.310  0.216  0.468  1.0
  O  O46  1  0.418  0.200  0.808  1.0
  O  O47  1  0.918  0.800  0.192  1.0
[/CIF]
.
The material described by BaU2P2O19 crystallizes in the monoclinic P2_1 space group. Ba(1) is bonded in a 8-coordinate geometry to one O(1), one O(10), one O(11), one O(12), one O(14), one O(15), one O(18), and one O(6) atom. There are two inequivalent U sites. In the first U site, U(1) is bonded to one O(1), one O(11), one O(3), one O(4), one O(5), and one O(7) atom to form UO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. In the second U site, U(2) is bonded to one O(10), one O(12), one O(2), one O(6), one O(8), and one O(9) atom to form UO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with two equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra and corners with two equivalent U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-40°. In the second P site, P(2) is bonded to one O(10), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent U(1)O6 octahedra and corners with two equivalent U(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-53°. There are nineteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ba(1) and one U(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one U(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one U(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one U(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one U(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Ba(1), one U(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one U(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 150 degrees geometry to one U(2) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one U(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Ba(1), one U(2), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one U(1) atom. In the twelfth O site, O(12) is bonded in a distorted single-bond geometry to one Ba(1) and one U(2) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one O(16) and one O(18) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 150 degrees geometry to one Ba(1) and one O(19) atom. In the fifteenth O site, O(15) is bonded in a bent 150 degrees geometry to one Ba(1) and one O(17) atom. In the sixteenth O site, O(16) is bonded in a single-bond geometry to one O(13) atom. In the seventeenth O site, O(17) is bonded in a single-bond geometry to one O(15) atom. In the eighteenth O site, O(18) is bonded in a water-like geometry to one Ba(1) and one O(13) atom. In the nineteenth O site, O(19) is bonded in a single-bond geometry to one O(14) atom. is represented by the CIF file [CIF]
data_BaU2P2O19
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.004
_cell_length_b   7.046
_cell_length_c   7.053
_cell_angle_alpha   89.117
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   795.301
_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  0.817  0.206  0.556  1.0
  Ba  Ba1  1  0.317  0.794  0.444  1.0
  U  U2  1  0.568  0.529  0.462  1.0
  U  U3  1  0.068  0.471  0.538  1.0
  U  U4  1  0.674  0.038  0.976  1.0
  U  U5  1  0.174  0.962  0.024  1.0
  P  P6  1  0.622  0.541  0.958  1.0
  P  P7  1  0.122  0.459  0.042  1.0
  P  P8  1  0.617  0.045  0.460  1.0
  P  P9  1  0.117  0.955  0.540  1.0
  O  O10  1  0.681  0.484  0.476  1.0
  O  O11  1  0.181  0.516  0.524  1.0
  O  O12  1  0.562  0.025  0.010  1.0
  O  O13  1  0.062  0.975  0.990  1.0
  O  O14  1  0.574  0.851  0.452  1.0
  O  O15  1  0.074  0.149  0.548  1.0
  O  O16  1  0.552  0.207  0.439  1.0
  O  O17  1  0.052  0.793  0.561  1.0
  O  O18  1  0.564  0.540  0.783  1.0
  O  O19  1  0.064  0.460  0.217  1.0
  O  O20  1  0.688  0.063  0.306  1.0
  O  O21  1  0.188  0.937  0.694  1.0
  O  O22  1  0.570  0.545  0.143  1.0
  O  O23  1  0.070  0.455  0.857  1.0
  O  O24  1  0.680  0.719  0.949  1.0
  O  O25  1  0.180  0.281  0.051  1.0
  O  O26  1  0.678  0.359  0.957  1.0
  O  O27  1  0.178  0.641  0.043  1.0
  O  O28  1  0.664  0.067  0.652  1.0
  O  O29  1  0.164  0.933  0.348  1.0
  O  O30  1  0.452  0.563  0.456  1.0
  O  O31  1  0.952  0.437  0.544  1.0
  O  O32  1  0.787  0.057  0.924  1.0
  O  O33  1  0.287  0.943  0.076  1.0
  O  O34  1  0.847  0.708  0.679  1.0
  O  O35  1  0.347  0.292  0.321  1.0
  O  O36  1  0.918  0.960  0.261  1.0
  O  O37  1  0.418  0.040  0.739  1.0
  O  O38  1  0.851  0.387  0.168  1.0
  O  O39  1  0.351  0.613  0.832  1.0
  O  O40  1  0.895  0.816  0.774  1.0
  O  O41  1  0.395  0.184  0.226  1.0
  O  O42  1  0.399  0.622  0.969  1.0
  O  O43  1  0.899  0.378  0.031  1.0
  O  O44  1  0.810  0.784  0.532  1.0
  O  O45  1  0.310  0.216  0.468  1.0
  O  O46  1  0.418  0.200  0.808  1.0
  O  O47  1  0.918  0.800  0.192  1.0
[/CIF]
.