data_global
_chemical_name_mineral 'Nickelbischofite'
loop_
_publ_author_name
'Kleinberg R'
_journal_name_full 'Journal of Chemical Physics'
_journal_volume 50 
_journal_year 1969
_journal_page_first 4690
_journal_page_last 4696
_publ_section_title
;
 Crystal structure of NiCl2*6H2O at room temperature and 4.2 K by neutron
 diffraction
 Sample: T = 4.2 K, neutron data
;
_database_code_amcsd 0012995
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ni Cl2 O6 H12'
_cell_length_a 10.20
_cell_length_b 7.05
_cell_length_c 6.50
_cell_angle_alpha 90
_cell_angle_beta 122.53
_cell_angle_gamma 90
_cell_volume 394.082
_exptl_crystal_density_diffrn      2.003
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ni   0.00000   0.00000   0.00000   0.00887
Cl   0.27200   0.00000   0.17000   0.01013
O1   0.03200   0.20300   0.25250   0.01267
O2   0.28230   0.00000   0.70000   0.01140
H1   0.10700   0.29900   0.28000   0.02660
H2   0.44100   0.23200   0.22700   0.02913
H3   0.18400   0.00000   0.54900   0.02533
H4   0.26100   0.00000   0.82800   0.02153