The material structure described by LuC5H9(NO4)2 crystallizes in the monoclinic C2 space group. Lu(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one H(3), and one O(1) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(4), one O(3), and one O(4) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one H(5) and two equivalent O(2) atoms. N(1) is bonded in a trigonal planar geometry to one C(1), one H(1), and one H(2) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Lu(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Lu(1) and one C(3) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Lu(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Lu(1) and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuH9C5(NO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.537
_cell_length_b   6.647
_cell_length_c   6.647
_cell_angle_alpha   114.290
_cell_angle_beta   105.641
_cell_angle_gamma   74.359
_symmetry_Int_Tables_number   1
_cell_volume   249.367
_cell_formula_units_Z   1
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
  Lu  Lu0  1  0.000  0.817  0.817  1.0
  H  H1  1  0.414  0.457  0.011  1.0
  H  H2  1  0.586  0.011  0.457  1.0
  H  H3  1  0.536  0.555  0.300  1.0
  H  H4  1  0.464  0.300  0.555  1.0
  H  H5  1  0.823  0.276  0.262  1.0
  H  H6  1  0.177  0.262  0.276  1.0
  H  H7  1  0.873  0.286  0.658  1.0
  H  H8  1  0.127  0.658  0.286  1.0
  H  H9  1  0.500  0.904  0.904  1.0
  C  C10  1  0.709  0.279  0.107  1.0
  C  C11  1  0.291  0.107  0.279  1.0
  C  C12  1  0.036  0.291  0.765  1.0
  C  C13  1  0.964  0.765  0.291  1.0
  C  C14  1  0.500  0.751  0.751  1.0
  N  N15  1  0.541  0.445  0.139  1.0
  N  N16  1  0.459  0.139  0.445  1.0
  O  O17  1  0.742  0.135  0.919  1.0
  O  O18  1  0.258  0.919  0.135  1.0
  O  O19  1  0.329  0.666  0.673  1.0
  O  O20  1  0.671  0.673  0.666  1.0
  O  O21  1  0.118  0.463  0.812  1.0
  O  O22  1  0.882  0.812  0.463  1.0
  O  O23  1  0.126  0.132  0.832  1.0
  O  O24  1  0.874  0.832  0.132  1.0
[/CIF]
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The material structure described by LuC5H9(NO4)2 crystallizes in the monoclinic C2 space group. Lu(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one N(1), one H(3), and one O(1) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one H(4), one O(3), and one O(4) atom. In the third C site, C(3) is bonded in a trigonal planar geometry to one H(5) and two equivalent O(2) atoms. N(1) is bonded in a trigonal planar geometry to one C(1), one H(1), and one H(2) atom. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Lu(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Lu(1) and one C(3) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Lu(1) and one C(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Lu(1) and one C(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_LuH9C5(NO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.537
_cell_length_b   6.647
_cell_length_c   6.647
_cell_angle_alpha   114.290
_cell_angle_beta   105.641
_cell_angle_gamma   74.359
_symmetry_Int_Tables_number   1
_cell_volume   249.367
_cell_formula_units_Z   1
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
  Lu  Lu0  1  0.000  0.817  0.817  1.0
  H  H1  1  0.414  0.457  0.011  1.0
  H  H2  1  0.586  0.011  0.457  1.0
  H  H3  1  0.536  0.555  0.300  1.0
  H  H4  1  0.464  0.300  0.555  1.0
  H  H5  1  0.823  0.276  0.262  1.0
  H  H6  1  0.177  0.262  0.276  1.0
  H  H7  1  0.873  0.286  0.658  1.0
  H  H8  1  0.127  0.658  0.286  1.0
  H  H9  1  0.500  0.904  0.904  1.0
  C  C10  1  0.709  0.279  0.107  1.0
  C  C11  1  0.291  0.107  0.279  1.0
  C  C12  1  0.036  0.291  0.765  1.0
  C  C13  1  0.964  0.765  0.291  1.0
  C  C14  1  0.500  0.751  0.751  1.0
  N  N15  1  0.541  0.445  0.139  1.0
  N  N16  1  0.459  0.139  0.445  1.0
  O  O17  1  0.742  0.135  0.919  1.0
  O  O18  1  0.258  0.919  0.135  1.0
  O  O19  1  0.329  0.666  0.673  1.0
  O  O20  1  0.671  0.673  0.666  1.0
  O  O21  1  0.118  0.463  0.812  1.0
  O  O22  1  0.882  0.812  0.463  1.0
  O  O23  1  0.126  0.132  0.832  1.0
  O  O24  1  0.874  0.832  0.132  1.0
[/CIF]
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