The structure described by Ca2Ni10H crystallizes in the trigonal P3m1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 18-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), six equivalent Ni(3), and six equivalent Ni(6) atoms. In the second Ca site, Ca(2) is bonded in a 18-coordinate geometry to three equivalent Ni(4), three equivalent Ni(5), six equivalent Ni(3), and six equivalent Ni(6) atoms. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to three equivalent Ca(1), three equivalent Ni(6), and one H(1) atom. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Ca(1), three equivalent Ni(3), and three equivalent Ni(6) atoms. In the third Ni site, Ni(3) is bonded in a single-bond geometry to two equivalent Ca(1), two equivalent Ca(2), one Ni(2), one Ni(4), one Ni(5), and one H(1) atom. In the fourth Ni site, Ni(4) is bonded in a 9-coordinate geometry to three equivalent Ca(2), three equivalent Ni(3), and three equivalent Ni(6) atoms. In the fifth Ni site, Ni(5) is bonded in a 9-coordinate geometry to three equivalent Ca(2), three equivalent Ni(3), and three equivalent Ni(6) atoms. In the sixth Ni site, Ni(6) is bonded to two equivalent Ca(1), two equivalent Ca(2), one Ni(1), one Ni(2), one Ni(4), one Ni(5), and four equivalent Ni(6) atoms to form NiCa4Ni8 cuboctahedra that share corners with four equivalent Ni(6)Ca4Ni8 cuboctahedra,  a cornercorner with one H(1)Ni4 tetrahedra, edges with two equivalent Ni(6)Ca4Ni8 cuboctahedra, and faces with eight equivalent Ni(6)Ca4Ni8 cuboctahedra. H(1) is bonded to one Ni(1) and three equivalent Ni(3) atoms to form HNi4 tetrahedra that share corners with three equivalent Ni(6)Ca4Ni8 cuboctahedra. is represented by the CIF card [CIF]
data_Ca2Ni10H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.981
_cell_length_b   4.983
_cell_length_c   7.914
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.987
_symmetry_Int_Tables_number   1
_cell_volume   170.144
_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
  Ca  Ca0  1  1.000  1.000  0.000  1.0
  Ca  Ca1  1  0.000  0.000  0.499  1.0
  Ni  Ni2  1  0.667  0.333  0.012  1.0
  Ni  Ni3  1  0.333  0.667  0.004  1.0
  Ni  Ni4  1  0.493  0.507  0.746  1.0
  Ni  Ni5  1  0.014  0.507  0.746  1.0
  Ni  Ni6  1  0.493  0.986  0.746  1.0
  Ni  Ni7  1  0.667  0.333  0.499  1.0
  Ni  Ni8  1  0.333  0.667  0.497  1.0
  Ni  Ni9  1  0.499  0.501  0.252  1.0
  Ni  Ni10  1  0.002  0.501  0.252  1.0
  Ni  Ni11  1  0.499  0.998  0.252  1.0
  H  H12  1  0.667  0.333  0.810  1.0
[/CIF]
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The structure described by Ca2Ni10H crystallizes in the trigonal P3m1 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a 18-coordinate geometry to three equivalent Ni(1), three equivalent Ni(2), six equivalent Ni(3), and six equivalent Ni(6) atoms. In the second Ca site, Ca(2) is bonded in a 18-coordinate geometry to three equivalent Ni(4), three equivalent Ni(5), six equivalent Ni(3), and six equivalent Ni(6) atoms. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a single-bond geometry to three equivalent Ca(1), three equivalent Ni(6), and one H(1) atom. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Ca(1), three equivalent Ni(3), and three equivalent Ni(6) atoms. In the third Ni site, Ni(3) is bonded in a single-bond geometry to two equivalent Ca(1), two equivalent Ca(2), one Ni(2), one Ni(4), one Ni(5), and one H(1) atom. In the fourth Ni site, Ni(4) is bonded in a 9-coordinate geometry to three equivalent Ca(2), three equivalent Ni(3), and three equivalent Ni(6) atoms. In the fifth Ni site, Ni(5) is bonded in a 9-coordinate geometry to three equivalent Ca(2), three equivalent Ni(3), and three equivalent Ni(6) atoms. In the sixth Ni site, Ni(6) is bonded to two equivalent Ca(1), two equivalent Ca(2), one Ni(1), one Ni(2), one Ni(4), one Ni(5), and four equivalent Ni(6) atoms to form NiCa4Ni8 cuboctahedra that share corners with four equivalent Ni(6)Ca4Ni8 cuboctahedra,  a cornercorner with one H(1)Ni4 tetrahedra, edges with two equivalent Ni(6)Ca4Ni8 cuboctahedra, and faces with eight equivalent Ni(6)Ca4Ni8 cuboctahedra. H(1) is bonded to one Ni(1) and three equivalent Ni(3) atoms to form HNi4 tetrahedra that share corners with three equivalent Ni(6)Ca4Ni8 cuboctahedra. is represented by the CIF card [CIF]
data_Ca2Ni10H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.981
_cell_length_b   4.983
_cell_length_c   7.914
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.987
_symmetry_Int_Tables_number   1
_cell_volume   170.144
_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
  Ca  Ca0  1  1.000  1.000  0.000  1.0
  Ca  Ca1  1  0.000  0.000  0.499  1.0
  Ni  Ni2  1  0.667  0.333  0.012  1.0
  Ni  Ni3  1  0.333  0.667  0.004  1.0
  Ni  Ni4  1  0.493  0.507  0.746  1.0
  Ni  Ni5  1  0.014  0.507  0.746  1.0
  Ni  Ni6  1  0.493  0.986  0.746  1.0
  Ni  Ni7  1  0.667  0.333  0.499  1.0
  Ni  Ni8  1  0.333  0.667  0.497  1.0
  Ni  Ni9  1  0.499  0.501  0.252  1.0
  Ni  Ni10  1  0.002  0.501  0.252  1.0
  Ni  Ni11  1  0.499  0.998  0.252  1.0
  H  H12  1  0.667  0.333  0.810  1.0
[/CIF]
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