data_global
_chemical_name_mineral 'Theophrastite'
loop_
_publ_author_name
'Ramesh T N'
'Kamath P V'
'Shivakumara C'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 62 
_journal_year 2006
_journal_page_first 530
_journal_page_last 536
_publ_section_title
;
 Classification of stacking faults and their stepwise elemination during the
 disorder -> order transformation of nickel hydroxide
;
_database_code_amcsd 0009939
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ni (O2 H2)'
_cell_length_a 3.12
_cell_length_b 3.12
_cell_length_c 4.61
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 38.863
_exptl_crystal_density_diffrn      3.961
_symmetry_space_group_name_H-M 'P -3 m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,z'
  'y,-x+y,-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  '-x+y,y,z'
  '-x,-y,-z'
  'y,x,-z'
  '-y,x-y,z'
  'x,x-y,z'
  'x-y,x,-z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Ni   0.00000   0.00000   0.00000
O-H   0.33333   0.66667   0.22570