The material structure described by BaC3P3NH10O9 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), two equivalent O(4), and two equivalent O(8) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded to one P(1), one N(1), one H(5), and one H(6) atom to form distorted corner-sharing CPH2N tetrahedra. In the second C site, C(2) is bonded to one P(2), one N(1), one H(7), and one H(8) atom to form distorted corner-sharing CPH2N tetrahedra. In the third C site, C(3) is bonded to one P(3), one N(1), one H(10), and one H(9) atom to form distorted corner-sharing CPH2N tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one C(1), one O(1), one O(2), and one O(3) atom to form distorted PCO3 tetrahedra that share  a cornercorner with one N(1)HC3 tetrahedra. In the second P site, P(2) is bonded to one C(2), one O(4), one O(5), and one O(6) atom to form distorted PCO3 tetrahedra that share  a cornercorner with one N(1)HC3 tetrahedra. In the third P site, P(3) is bonded to one C(3), one O(7), one O(8), and one O(9) atom to form distorted PCO3 tetrahedra that share  a cornercorner with one N(1)HC3 tetrahedra. N(1) is bonded to one C(1), one C(2), one C(3), and one H(4) atom to form distorted NHC3 tetrahedra that share  a cornercorner with one P(1)CO3 tetrahedra,  a cornercorner with one P(2)CO3 tetrahedra, and  a cornercorner with one P(3)CO3 tetrahedra. There are ten inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. In the second H site, H(2) is bonded in a linear geometry to one O(1) and one O(6) atom. In the third H site, H(3) is bonded in a linear geometry to one O(7) and one O(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(1) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(1) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(2) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(2) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(3) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(3) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one P(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one P(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one P(2), and one H(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ba(1), one P(3), and one H(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(3) and one H(3) atom. is represented by the CIF card [CIF]
data_BaP3H10C3NO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.757
_cell_length_b   8.723
_cell_length_c   9.152
_cell_angle_alpha   102.133
_cell_angle_beta   95.460
_cell_angle_gamma   106.154
_symmetry_Int_Tables_number   1
_cell_volume   573.726
_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  0.611  0.775  0.444  1.0
  Ba  Ba1  1  0.389  0.225  0.556  1.0
  P  P2  1  0.789  0.163  0.819  1.0
  P  P3  1  0.211  0.837  0.181  1.0
  P  P4  1  0.869  0.185  0.407  1.0
  P  P5  1  0.131  0.815  0.593  1.0
  P  P6  1  0.490  0.393  0.187  1.0
  P  P7  1  0.510  0.607  0.813  1.0
  H  H8  1  0.987  0.300  0.700  1.0
  H  H9  1  0.013  0.700  0.300  1.0
  H  H10  1  0.001  0.004  0.287  1.0
  H  H11  1  0.999  0.996  0.713  1.0
  H  H12  1  0.333  0.380  0.970  1.0
  H  H13  1  0.667  0.620  0.030  1.0
  H  H14  1  0.810  0.396  0.099  1.0
  H  H15  1  0.190  0.604  0.901  1.0
  H  H16  1  0.999  0.200  0.046  1.0
  H  H17  1  0.001  0.800  0.954  1.0
  H  H18  1  0.790  0.044  0.040  1.0
  H  H19  1  0.210  0.956  0.960  1.0
  H  H20  1  0.044  0.369  0.272  1.0
  H  H21  1  0.956  0.631  0.728  1.0
  H  H22  1  0.874  0.443  0.354  1.0
  H  H23  1  0.126  0.557  0.646  1.0
  H  H24  1  0.525  0.161  0.013  1.0
  H  H25  1  0.475  0.839  0.987  1.0
  H  H26  1  0.561  0.138  0.205  1.0
  H  H27  1  0.439  0.862  0.795  1.0
  C  C28  1  0.850  0.166  0.020  1.0
  C  C29  1  0.150  0.834  0.980  1.0
  C  C30  1  0.901  0.334  0.288  1.0
  C  C31  1  0.099  0.666  0.712  1.0
  C  C32  1  0.586  0.224  0.131  1.0
  C  C33  1  0.414  0.776  0.869  1.0
  N  N34  1  0.788  0.286  0.132  1.0
  N  N35  1  0.212  0.714  0.868  1.0
  O  O36  1  0.813  0.003  0.729  1.0
  O  O37  1  0.187  0.997  0.271  1.0
  O  O38  1  0.603  0.184  0.793  1.0
  O  O39  1  0.397  0.816  0.207  1.0
  O  O40  1  0.948  0.318  0.804  1.0
  O  O41  1  0.052  0.682  0.196  1.0
  O  O42  1  0.683  0.155  0.454  1.0
  O  O43  1  0.317  0.845  0.546  1.0
  O  O44  1  0.035  0.263  0.532  1.0
  O  O45  1  0.965  0.737  0.468  1.0
  O  O46  1  0.873  0.014  0.305  1.0
  O  O47  1  0.127  0.986  0.695  1.0
  O  O48  1  0.632  0.548  0.169  1.0
  O  O49  1  0.368  0.452  0.831  1.0
  O  O50  1  0.444  0.406  0.345  1.0
  O  O51  1  0.556  0.594  0.655  1.0
  O  O52  1  0.309  0.342  0.067  1.0
  O  O53  1  0.691  0.658  0.933  1.0
[/CIF]
.
The material structure described by BaC3P3NH10O9 crystallizes in the triclinic P-1 space group. Ba(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), two equivalent O(4), and two equivalent O(8) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded to one P(1), one N(1), one H(5), and one H(6) atom to form distorted corner-sharing CPH2N tetrahedra. In the second C site, C(2) is bonded to one P(2), one N(1), one H(7), and one H(8) atom to form distorted corner-sharing CPH2N tetrahedra. In the third C site, C(3) is bonded to one P(3), one N(1), one H(10), and one H(9) atom to form distorted corner-sharing CPH2N tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one C(1), one O(1), one O(2), and one O(3) atom to form distorted PCO3 tetrahedra that share  a cornercorner with one N(1)HC3 tetrahedra. In the second P site, P(2) is bonded to one C(2), one O(4), one O(5), and one O(6) atom to form distorted PCO3 tetrahedra that share  a cornercorner with one N(1)HC3 tetrahedra. In the third P site, P(3) is bonded to one C(3), one O(7), one O(8), and one O(9) atom to form distorted PCO3 tetrahedra that share  a cornercorner with one N(1)HC3 tetrahedra. N(1) is bonded to one C(1), one C(2), one C(3), and one H(4) atom to form distorted NHC3 tetrahedra that share  a cornercorner with one P(1)CO3 tetrahedra,  a cornercorner with one P(2)CO3 tetrahedra, and  a cornercorner with one P(3)CO3 tetrahedra. There are ten inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(3) and one O(5) atom. In the second H site, H(2) is bonded in a linear geometry to one O(1) and one O(6) atom. In the third H site, H(3) is bonded in a linear geometry to one O(7) and one O(9) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one N(1) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(1) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(1) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(2) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(2) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(3) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(3) atom. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one P(1), and one H(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Ba(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Ba(1), one P(2), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Ba(1), one P(2), and one H(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Ba(1), one P(3), and one H(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to two equivalent Ba(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one P(3) and one H(3) atom. is represented by the CIF card [CIF]
data_BaP3H10C3NO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.757
_cell_length_b   8.723
_cell_length_c   9.152
_cell_angle_alpha   102.133
_cell_angle_beta   95.460
_cell_angle_gamma   106.154
_symmetry_Int_Tables_number   1
_cell_volume   573.726
_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  0.611  0.775  0.444  1.0
  Ba  Ba1  1  0.389  0.225  0.556  1.0
  P  P2  1  0.789  0.163  0.819  1.0
  P  P3  1  0.211  0.837  0.181  1.0
  P  P4  1  0.869  0.185  0.407  1.0
  P  P5  1  0.131  0.815  0.593  1.0
  P  P6  1  0.490  0.393  0.187  1.0
  P  P7  1  0.510  0.607  0.813  1.0
  H  H8  1  0.987  0.300  0.700  1.0
  H  H9  1  0.013  0.700  0.300  1.0
  H  H10  1  0.001  0.004  0.287  1.0
  H  H11  1  0.999  0.996  0.713  1.0
  H  H12  1  0.333  0.380  0.970  1.0
  H  H13  1  0.667  0.620  0.030  1.0
  H  H14  1  0.810  0.396  0.099  1.0
  H  H15  1  0.190  0.604  0.901  1.0
  H  H16  1  0.999  0.200  0.046  1.0
  H  H17  1  0.001  0.800  0.954  1.0
  H  H18  1  0.790  0.044  0.040  1.0
  H  H19  1  0.210  0.956  0.960  1.0
  H  H20  1  0.044  0.369  0.272  1.0
  H  H21  1  0.956  0.631  0.728  1.0
  H  H22  1  0.874  0.443  0.354  1.0
  H  H23  1  0.126  0.557  0.646  1.0
  H  H24  1  0.525  0.161  0.013  1.0
  H  H25  1  0.475  0.839  0.987  1.0
  H  H26  1  0.561  0.138  0.205  1.0
  H  H27  1  0.439  0.862  0.795  1.0
  C  C28  1  0.850  0.166  0.020  1.0
  C  C29  1  0.150  0.834  0.980  1.0
  C  C30  1  0.901  0.334  0.288  1.0
  C  C31  1  0.099  0.666  0.712  1.0
  C  C32  1  0.586  0.224  0.131  1.0
  C  C33  1  0.414  0.776  0.869  1.0
  N  N34  1  0.788  0.286  0.132  1.0
  N  N35  1  0.212  0.714  0.868  1.0
  O  O36  1  0.813  0.003  0.729  1.0
  O  O37  1  0.187  0.997  0.271  1.0
  O  O38  1  0.603  0.184  0.793  1.0
  O  O39  1  0.397  0.816  0.207  1.0
  O  O40  1  0.948  0.318  0.804  1.0
  O  O41  1  0.052  0.682  0.196  1.0
  O  O42  1  0.683  0.155  0.454  1.0
  O  O43  1  0.317  0.845  0.546  1.0
  O  O44  1  0.035  0.263  0.532  1.0
  O  O45  1  0.965  0.737  0.468  1.0
  O  O46  1  0.873  0.014  0.305  1.0
  O  O47  1  0.127  0.986  0.695  1.0
  O  O48  1  0.632  0.548  0.169  1.0
  O  O49  1  0.368  0.452  0.831  1.0
  O  O50  1  0.444  0.406  0.345  1.0
  O  O51  1  0.556  0.594  0.655  1.0
  O  O52  1  0.309  0.342  0.067  1.0
  O  O53  1  0.691  0.658  0.933  1.0
[/CIF]
.