The material structure described by LaNi5H7 crystallizes in the monoclinic Cc space group. La(1) is bonded to two equivalent H(1), two equivalent H(2), two equivalent H(3), two equivalent H(5), two equivalent H(6), and two equivalent H(7) atoms to form LaH12 cuboctahedra that share corners with six equivalent La(1)H12 cuboctahedra, corners with two equivalent Ni(1)H4 tetrahedra, corners with two equivalent Ni(2)H4 tetrahedra, corners with two equivalent Ni(3)H4 tetrahedra, edges with two equivalent Ni(1)H4 tetrahedra, edges with two equivalent Ni(2)H4 tetrahedra, edges with two equivalent Ni(3)H4 tetrahedra, edges with three equivalent Ni(4)H4 tetrahedra, and faces with two equivalent La(1)H12 cuboctahedra. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one H(1), one H(4), one H(6), and one H(7) atom to form NiH4 tetrahedra that share corners with two equivalent La(1)H12 cuboctahedra, corners with two equivalent Ni(2)H4 tetrahedra, corners with two equivalent Ni(3)H4 tetrahedra, corners with two equivalent Ni(4)H4 tetrahedra, and edges with two equivalent La(1)H12 cuboctahedra. In the second Ni site, Ni(2) is bonded to one H(2), one H(4), one H(5), and one H(7) atom to form NiH4 tetrahedra that share corners with two equivalent La(1)H12 cuboctahedra, corners with two equivalent Ni(1)H4 tetrahedra, corners with two equivalent Ni(3)H4 tetrahedra, corners with two equivalent Ni(4)H4 tetrahedra, and edges with two equivalent La(1)H12 cuboctahedra. In the third Ni site, Ni(3) is bonded to one H(3), one H(4), one H(5), and one H(6) atom to form NiH4 tetrahedra that share corners with two equivalent La(1)H12 cuboctahedra, corners with two equivalent Ni(1)H4 tetrahedra, corners with two equivalent Ni(2)H4 tetrahedra, corners with two equivalent Ni(4)H4 tetrahedra, and edges with two equivalent La(1)H12 cuboctahedra. In the fourth Ni site, Ni(4) is bonded to one H(1), one H(2), one H(3), and one H(4) atom to form NiH4 tetrahedra that share corners with two equivalent Ni(1)H4 tetrahedra, corners with two equivalent Ni(2)H4 tetrahedra, corners with two equivalent Ni(3)H4 tetrahedra, and edges with three equivalent La(1)H12 cuboctahedra. In the fifth Ni site, Ni(5) is bonded in a trigonal non-coplanar geometry to one H(1), one H(2), and one H(3) atom. There are seven inequivalent H sites. In the first H site, H(5) is bonded in a distorted bent 120 degrees geometry to two equivalent La(1), one Ni(2), and one Ni(3) atom. In the second H site, H(6) is bonded in a distorted bent 120 degrees geometry to two equivalent La(1), one Ni(1), and one Ni(3) atom. In the third H site, H(7) is bonded in a distorted bent 120 degrees geometry to two equivalent La(1), one Ni(1), and one Ni(2) atom. In the fourth H site, H(1) is bonded in a 3-coordinate geometry to two equivalent La(1), one Ni(1), one Ni(4), and one Ni(5) atom. In the fifth H site, H(2) is bonded in a 3-coordinate geometry to two equivalent La(1), one Ni(2), one Ni(4), and one Ni(5) atom. In the sixth H site, H(3) is bonded in a 3-coordinate geometry to two equivalent La(1), one Ni(3), one Ni(4), and one Ni(5) atom. In the seventh H site, H(4) is bonded in a tetrahedral geometry to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom. is represented by the CIF card [CIF]
data_LaNi5H7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.383
_cell_length_b   5.383
_cell_length_c   8.616
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   119.845
_symmetry_Int_Tables_number   1
_cell_volume   216.591
_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
  La  La0  1  0.000  0.000  0.469  1.0
  La  La1  1  0.000  0.000  0.969  1.0
  Ni  Ni2  1  0.003  0.507  0.247  1.0
  Ni  Ni3  1  0.504  0.997  0.247  1.0
  Ni  Ni4  1  0.493  0.496  0.247  1.0
  Ni  Ni5  1  0.507  0.003  0.747  1.0
  Ni  Ni6  1  0.997  0.504  0.747  1.0
  Ni  Ni7  1  0.496  0.493  0.747  1.0
  Ni  Ni8  1  0.667  0.333  0.492  1.0
  Ni  Ni9  1  0.333  0.667  0.992  1.0
  Ni  Ni10  1  0.667  0.333  0.015  1.0
  Ni  Ni11  1  0.333  0.667  0.515  1.0
  H  H12  1  0.010  0.514  0.439  1.0
  H  H13  1  0.504  0.990  0.439  1.0
  H  H14  1  0.486  0.496  0.439  1.0
  H  H15  1  0.514  0.010  0.939  1.0
  H  H16  1  0.990  0.504  0.939  1.0
  H  H17  1  0.496  0.486  0.939  1.0
  H  H18  1  0.667  0.333  0.680  1.0
  H  H19  1  0.333  0.667  0.180  1.0
  H  H20  1  0.325  0.157  0.210  1.0
  H  H21  1  0.832  0.675  0.210  1.0
  H  H22  1  0.843  0.168  0.210  1.0
  H  H23  1  0.157  0.325  0.710  1.0
  H  H24  1  0.675  0.832  0.710  1.0
  H  H25  1  0.168  0.843  0.710  1.0
[/CIF]
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The material structure described by LaNi5H7 crystallizes in the monoclinic Cc space group. La(1) is bonded to two equivalent H(1), two equivalent H(2), two equivalent H(3), two equivalent H(5), two equivalent H(6), and two equivalent H(7) atoms to form LaH12 cuboctahedra that share corners with six equivalent La(1)H12 cuboctahedra, corners with two equivalent Ni(1)H4 tetrahedra, corners with two equivalent Ni(2)H4 tetrahedra, corners with two equivalent Ni(3)H4 tetrahedra, edges with two equivalent Ni(1)H4 tetrahedra, edges with two equivalent Ni(2)H4 tetrahedra, edges with two equivalent Ni(3)H4 tetrahedra, edges with three equivalent Ni(4)H4 tetrahedra, and faces with two equivalent La(1)H12 cuboctahedra. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one H(1), one H(4), one H(6), and one H(7) atom to form NiH4 tetrahedra that share corners with two equivalent La(1)H12 cuboctahedra, corners with two equivalent Ni(2)H4 tetrahedra, corners with two equivalent Ni(3)H4 tetrahedra, corners with two equivalent Ni(4)H4 tetrahedra, and edges with two equivalent La(1)H12 cuboctahedra. In the second Ni site, Ni(2) is bonded to one H(2), one H(4), one H(5), and one H(7) atom to form NiH4 tetrahedra that share corners with two equivalent La(1)H12 cuboctahedra, corners with two equivalent Ni(1)H4 tetrahedra, corners with two equivalent Ni(3)H4 tetrahedra, corners with two equivalent Ni(4)H4 tetrahedra, and edges with two equivalent La(1)H12 cuboctahedra. In the third Ni site, Ni(3) is bonded to one H(3), one H(4), one H(5), and one H(6) atom to form NiH4 tetrahedra that share corners with two equivalent La(1)H12 cuboctahedra, corners with two equivalent Ni(1)H4 tetrahedra, corners with two equivalent Ni(2)H4 tetrahedra, corners with two equivalent Ni(4)H4 tetrahedra, and edges with two equivalent La(1)H12 cuboctahedra. In the fourth Ni site, Ni(4) is bonded to one H(1), one H(2), one H(3), and one H(4) atom to form NiH4 tetrahedra that share corners with two equivalent Ni(1)H4 tetrahedra, corners with two equivalent Ni(2)H4 tetrahedra, corners with two equivalent Ni(3)H4 tetrahedra, and edges with three equivalent La(1)H12 cuboctahedra. In the fifth Ni site, Ni(5) is bonded in a trigonal non-coplanar geometry to one H(1), one H(2), and one H(3) atom. There are seven inequivalent H sites. In the first H site, H(5) is bonded in a distorted bent 120 degrees geometry to two equivalent La(1), one Ni(2), and one Ni(3) atom. In the second H site, H(6) is bonded in a distorted bent 120 degrees geometry to two equivalent La(1), one Ni(1), and one Ni(3) atom. In the third H site, H(7) is bonded in a distorted bent 120 degrees geometry to two equivalent La(1), one Ni(1), and one Ni(2) atom. In the fourth H site, H(1) is bonded in a 3-coordinate geometry to two equivalent La(1), one Ni(1), one Ni(4), and one Ni(5) atom. In the fifth H site, H(2) is bonded in a 3-coordinate geometry to two equivalent La(1), one Ni(2), one Ni(4), and one Ni(5) atom. In the sixth H site, H(3) is bonded in a 3-coordinate geometry to two equivalent La(1), one Ni(3), one Ni(4), and one Ni(5) atom. In the seventh H site, H(4) is bonded in a tetrahedral geometry to one Ni(1), one Ni(2), one Ni(3), and one Ni(4) atom. is represented by the CIF card [CIF]
data_LaNi5H7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.383
_cell_length_b   5.383
_cell_length_c   8.616
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   119.845
_symmetry_Int_Tables_number   1
_cell_volume   216.591
_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
  La  La0  1  0.000  0.000  0.469  1.0
  La  La1  1  0.000  0.000  0.969  1.0
  Ni  Ni2  1  0.003  0.507  0.247  1.0
  Ni  Ni3  1  0.504  0.997  0.247  1.0
  Ni  Ni4  1  0.493  0.496  0.247  1.0
  Ni  Ni5  1  0.507  0.003  0.747  1.0
  Ni  Ni6  1  0.997  0.504  0.747  1.0
  Ni  Ni7  1  0.496  0.493  0.747  1.0
  Ni  Ni8  1  0.667  0.333  0.492  1.0
  Ni  Ni9  1  0.333  0.667  0.992  1.0
  Ni  Ni10  1  0.667  0.333  0.015  1.0
  Ni  Ni11  1  0.333  0.667  0.515  1.0
  H  H12  1  0.010  0.514  0.439  1.0
  H  H13  1  0.504  0.990  0.439  1.0
  H  H14  1  0.486  0.496  0.439  1.0
  H  H15  1  0.514  0.010  0.939  1.0
  H  H16  1  0.990  0.504  0.939  1.0
  H  H17  1  0.496  0.486  0.939  1.0
  H  H18  1  0.667  0.333  0.680  1.0
  H  H19  1  0.333  0.667  0.180  1.0
  H  H20  1  0.325  0.157  0.210  1.0
  H  H21  1  0.832  0.675  0.210  1.0
  H  H22  1  0.843  0.168  0.210  1.0
  H  H23  1  0.157  0.325  0.710  1.0
  H  H24  1  0.675  0.832  0.710  1.0
  H  H25  1  0.168  0.843  0.710  1.0
[/CIF]
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