The material structure described by SrNi2P2(H2O5)2 crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra and edges with two equivalent Ni(1)O6 octahedra. P(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sr(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), two equivalent Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to two equivalent Ni(1), one H(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Sr(1), one Ni(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrNi2P2(H2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.444
_cell_length_b   5.444
_cell_length_c   7.434
_cell_angle_alpha   70.123
_cell_angle_beta   70.124
_cell_angle_gamma   68.142
_symmetry_Int_Tables_number   1
_cell_volume   186.476
_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
  H  H0  1  0.255  0.255  0.206  1.0
  H  H1  1  0.745  0.745  0.794  1.0
  H  H2  1  0.076  0.076  0.365  1.0
  H  H3  1  0.924  0.924  0.635  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.500  1.000  0.500  1.0
  O  O6  1  0.705  0.705  0.003  1.0
  O  O7  1  0.295  0.295  0.997  1.0
  O  O8  1  0.702  0.701  0.338  1.0
  O  O9  1  0.299  0.299  0.662  1.0
  O  O10  1  0.186  0.186  0.360  1.0
  O  O11  1  0.814  0.814  0.640  1.0
  O  O12  1  0.691  0.269  0.273  1.0
  O  O13  1  0.269  0.691  0.273  1.0
  O  O14  1  0.731  0.309  0.727  1.0
  O  O15  1  0.309  0.731  0.727  1.0
  P  P16  1  0.587  0.587  0.222  1.0
  P  P17  1  0.413  0.413  0.778  1.0
  Sr  Sr18  1  1.000  0.000  1.000  1.0
[/CIF]
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The material structure described by SrNi2P2(H2O5)2 crystallizes in the monoclinic C2/m space group. Sr(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms. Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra and edges with two equivalent Ni(1)O6 octahedra. P(1) is bonded to one O(1), one O(2), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a distorted bent 150 degrees geometry to one O(1) and one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sr(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Sr(1), two equivalent Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted water-like geometry to two equivalent Ni(1), one H(1), and one H(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Sr(1), one Ni(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_SrNi2P2(H2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.444
_cell_length_b   5.444
_cell_length_c   7.434
_cell_angle_alpha   70.123
_cell_angle_beta   70.124
_cell_angle_gamma   68.142
_symmetry_Int_Tables_number   1
_cell_volume   186.476
_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
  H  H0  1  0.255  0.255  0.206  1.0
  H  H1  1  0.745  0.745  0.794  1.0
  H  H2  1  0.076  0.076  0.365  1.0
  H  H3  1  0.924  0.924  0.635  1.0
  Ni  Ni4  1  0.000  0.500  0.500  1.0
  Ni  Ni5  1  0.500  1.000  0.500  1.0
  O  O6  1  0.705  0.705  0.003  1.0
  O  O7  1  0.295  0.295  0.997  1.0
  O  O8  1  0.702  0.701  0.338  1.0
  O  O9  1  0.299  0.299  0.662  1.0
  O  O10  1  0.186  0.186  0.360  1.0
  O  O11  1  0.814  0.814  0.640  1.0
  O  O12  1  0.691  0.269  0.273  1.0
  O  O13  1  0.269  0.691  0.273  1.0
  O  O14  1  0.731  0.309  0.727  1.0
  O  O15  1  0.309  0.731  0.727  1.0
  P  P16  1  0.587  0.587  0.222  1.0
  P  P17  1  0.413  0.413  0.778  1.0
  Sr  Sr18  1  1.000  0.000  1.000  1.0
[/CIF]
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