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 = room temp, X-ray data
;
_database_code_amcsd 0012993
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ni Cl2 O6 H12'
_cell_length_a 10.23
_cell_length_b 7.05
_cell_length_c 6.57
_cell_angle_alpha 90
_cell_angle_beta 122.17
_cell_angle_gamma 90
_cell_volume 401.091
_exptl_crystal_density_diffrn      1.968
_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   0.02280
Cl   0.27080   0.00000   0.16740   0.01900
O1   0.03070   0.20720   0.25030   0.03420
O2   0.28250   0.00000   0.70230   0.02913
H1   0.10000   0.29900   0.26900   0.04433
H2   0.44400   0.23200   0.22500   0.04306
H3   0.18100   0.00000   0.54900   0.07472
H4   0.26000   0.00000   0.83900   0.01520