The structure described by Ca2Ni10H crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni(1), four equivalent Ni(3), four equivalent Ni(6), and two equivalent H(1) atoms. In the second Ca site, Ca(2) is bonded in a 18-coordinate geometry to two equivalent Ni(2), two equivalent Ni(5), four equivalent Ni(3), four equivalent Ni(6), and six equivalent Ni(4) atoms. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted single-bond geometry to one Ca(1), two equivalent Ni(3), two equivalent Ni(6), and one H(1) atom. In the second Ni site, Ni(2) is bonded in a single-bond geometry to two equivalent Ca(2), two equivalent Ni(4), four equivalent Ni(3), and one H(1) atom. In the third Ni site, Ni(3) is bonded to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms to form NiCa4Ni8 cuboctahedra that share corners with four equivalent Ni(3)Ca4Ni8 cuboctahedra, corners with eight equivalent Ni(6)Ca4Ni8 cuboctahedra, corners with two equivalent H(1)Ca2Ni4 octahedra, edges with two equivalent Ni(3)Ca4Ni8 cuboctahedra, edges with four equivalent Ni(6)Ca4Ni8 cuboctahedra, faces with two equivalent Ni(6)Ca4Ni8 cuboctahedra, faces with four equivalent Ni(3)Ca4Ni8 cuboctahedra, and faces with two equivalent H(1)Ca2Ni4 octahedra. The corner-sharing octahedral tilt angles are 70°. In the fourth Ni site, Ni(4) is bonded in a 9-coordinate geometry to three equivalent Ca(2), one Ni(2), one Ni(5), two equivalent Ni(3), and two equivalent Ni(6) atoms. In the fifth Ni site, Ni(5) is bonded in a distorted single-bond geometry to two equivalent Ca(2), two equivalent Ni(4), four equivalent Ni(6), and one H(1) atom. In the sixth Ni site, Ni(6) is bonded to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ni(1), two equivalent Ni(4), two equivalent Ni(5), and two equivalent Ni(6) atoms to form NiCa4Ni8 cuboctahedra that share corners with four equivalent Ni(6)Ca4Ni8 cuboctahedra, corners with eight equivalent Ni(3)Ca4Ni8 cuboctahedra, corners with two equivalent H(1)Ca2Ni4 octahedra, edges with two equivalent Ni(6)Ca4Ni8 cuboctahedra, edges with four equivalent Ni(3)Ca4Ni8 cuboctahedra, faces with two equivalent Ni(3)Ca4Ni8 cuboctahedra, faces with four equivalent Ni(6)Ca4Ni8 cuboctahedra, and faces with two equivalent H(1)Ca2Ni4 octahedra. The corner-sharing octahedral tilt angles are 64°. H(1) is bonded to two equivalent Ca(1), one Ni(2), one Ni(5), and two equivalent Ni(1) atoms to form distorted HCa2Ni4 octahedra that share corners with four equivalent Ni(3)Ca4Ni8 cuboctahedra, corners with four equivalent Ni(6)Ca4Ni8 cuboctahedra, corners with two equivalent H(1)Ca2Ni4 octahedra, faces with four equivalent Ni(3)Ca4Ni8 cuboctahedra, and faces with four equivalent Ni(6)Ca4Ni8 cuboctahedra. The corner-sharing octahedral tilt angles are 9°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Ni10H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.942
_cell_length_b   5.027
_cell_length_c   7.820
_cell_angle_alpha   89.999
_cell_angle_beta   90.001
_cell_angle_gamma   119.420
_symmetry_Int_Tables_number   1
_cell_volume   169.207
_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  0.003  1.000  0.997  1.0
  Ca  Ca1  1  0.003  1.000  0.497  1.0
  Ni  Ni2  1  0.319  0.631  0.998  1.0
  Ni  Ni3  1  0.688  0.369  0.998  1.0
  Ni  Ni4  1  0.504  0.000  0.750  1.0
  Ni  Ni5  1  0.504  0.500  0.742  1.0
  Ni  Ni6  1  0.003  0.500  0.742  1.0
  Ni  Ni7  1  0.344  0.680  0.497  1.0
  Ni  Ni8  1  0.663  0.320  0.497  1.0
  Ni  Ni9  1  0.504  0.000  0.243  1.0
  Ni  Ni10  1  0.504  0.500  0.253  1.0
  Ni  Ni11  1  0.003  0.500  0.253  1.0
  H  H12  1  0.503  1.000  0.973  1.0
[/CIF]
.
The structure described by Ca2Ni10H crystallizes in the orthorhombic Cmm2 space group. There are two inequivalent Ca sites. In the first Ca site, Ca(1) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Ni(1), four equivalent Ni(3), four equivalent Ni(6), and two equivalent H(1) atoms. In the second Ca site, Ca(2) is bonded in a 18-coordinate geometry to two equivalent Ni(2), two equivalent Ni(5), four equivalent Ni(3), four equivalent Ni(6), and six equivalent Ni(4) atoms. There are six inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted single-bond geometry to one Ca(1), two equivalent Ni(3), two equivalent Ni(6), and one H(1) atom. In the second Ni site, Ni(2) is bonded in a single-bond geometry to two equivalent Ca(2), two equivalent Ni(4), four equivalent Ni(3), and one H(1) atom. In the third Ni site, Ni(3) is bonded to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ni(1), two equivalent Ni(2), two equivalent Ni(3), and two equivalent Ni(4) atoms to form NiCa4Ni8 cuboctahedra that share corners with four equivalent Ni(3)Ca4Ni8 cuboctahedra, corners with eight equivalent Ni(6)Ca4Ni8 cuboctahedra, corners with two equivalent H(1)Ca2Ni4 octahedra, edges with two equivalent Ni(3)Ca4Ni8 cuboctahedra, edges with four equivalent Ni(6)Ca4Ni8 cuboctahedra, faces with two equivalent Ni(6)Ca4Ni8 cuboctahedra, faces with four equivalent Ni(3)Ca4Ni8 cuboctahedra, and faces with two equivalent H(1)Ca2Ni4 octahedra. The corner-sharing octahedral tilt angles are 70°. In the fourth Ni site, Ni(4) is bonded in a 9-coordinate geometry to three equivalent Ca(2), one Ni(2), one Ni(5), two equivalent Ni(3), and two equivalent Ni(6) atoms. In the fifth Ni site, Ni(5) is bonded in a distorted single-bond geometry to two equivalent Ca(2), two equivalent Ni(4), four equivalent Ni(6), and one H(1) atom. In the sixth Ni site, Ni(6) is bonded to two equivalent Ca(1), two equivalent Ca(2), two equivalent Ni(1), two equivalent Ni(4), two equivalent Ni(5), and two equivalent Ni(6) atoms to form NiCa4Ni8 cuboctahedra that share corners with four equivalent Ni(6)Ca4Ni8 cuboctahedra, corners with eight equivalent Ni(3)Ca4Ni8 cuboctahedra, corners with two equivalent H(1)Ca2Ni4 octahedra, edges with two equivalent Ni(6)Ca4Ni8 cuboctahedra, edges with four equivalent Ni(3)Ca4Ni8 cuboctahedra, faces with two equivalent Ni(3)Ca4Ni8 cuboctahedra, faces with four equivalent Ni(6)Ca4Ni8 cuboctahedra, and faces with two equivalent H(1)Ca2Ni4 octahedra. The corner-sharing octahedral tilt angles are 64°. H(1) is bonded to two equivalent Ca(1), one Ni(2), one Ni(5), and two equivalent Ni(1) atoms to form distorted HCa2Ni4 octahedra that share corners with four equivalent Ni(3)Ca4Ni8 cuboctahedra, corners with four equivalent Ni(6)Ca4Ni8 cuboctahedra, corners with two equivalent H(1)Ca2Ni4 octahedra, faces with four equivalent Ni(3)Ca4Ni8 cuboctahedra, and faces with four equivalent Ni(6)Ca4Ni8 cuboctahedra. The corner-sharing octahedral tilt angles are 9°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ca2Ni10H
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.942
_cell_length_b   5.027
_cell_length_c   7.820
_cell_angle_alpha   89.999
_cell_angle_beta   90.001
_cell_angle_gamma   119.420
_symmetry_Int_Tables_number   1
_cell_volume   169.207
_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  0.003  1.000  0.997  1.0
  Ca  Ca1  1  0.003  1.000  0.497  1.0
  Ni  Ni2  1  0.319  0.631  0.998  1.0
  Ni  Ni3  1  0.688  0.369  0.998  1.0
  Ni  Ni4  1  0.504  0.000  0.750  1.0
  Ni  Ni5  1  0.504  0.500  0.742  1.0
  Ni  Ni6  1  0.003  0.500  0.742  1.0
  Ni  Ni7  1  0.344  0.680  0.497  1.0
  Ni  Ni8  1  0.663  0.320  0.497  1.0
  Ni  Ni9  1  0.504  0.000  0.243  1.0
  Ni  Ni10  1  0.504  0.500  0.253  1.0
  Ni  Ni11  1  0.003  0.500  0.253  1.0
  H  H12  1  0.503  1.000  0.973  1.0
[/CIF]
.