data_global
_chemical_name_mineral 'Likasite'
loop_
_publ_author_name
'Effenberger H'
_journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte'
_journal_volume 1986 
_journal_year 1986
_journal_page_first 101
_journal_page_last 110
_publ_section_title
;
 Likasite, Cu3(OH)5(NO3)*2(H2O): Revision of the chemical formula and
 redetermination of the crystal structure
;
_database_code_amcsd 0014798
_chemical_compound_source 'Likasi Mine, Zaire'
_chemical_formula_sum 'Cu3 N O10 H9'
_cell_length_a 5.830
_cell_length_b 6.775
_cell_length_c 21.711
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 857.547
_exptl_crystal_density_diffrn      2.895
_symmetry_space_group_name_H-M 'P c m n'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2-y,1/2+z'
  '1/2-x,y,1/2+z'
  '1/2+x,-y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1   0.82240   0.25000   0.10550
Cu2   0.32840   0.25000   0.10030
Cu3   0.00000   0.00000   0.00000
N   0.08000   0.25000   0.24200
O1   0.26100   0.25000   0.21000
O2  -0.10300   0.25000   0.21400
O3   0.08800   0.25000   0.29900
O-H1   0.15800   0.75000   0.00200
O-H2   0.07600   0.06000   0.08600
O-H3   0.57300   0.05500   0.10900
Wat1   0.08200   0.75000   0.17000
Wat2   0.62800   0.75000   0.03000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cu1 0.00300 0.01100 0.02300 0.00000 -0.00100 0.00000
Cu2 0.00300 0.01000 0.02400 0.00000 -0.00300 0.00000
Cu3 0.01600 0.01400 0.02100 0.00200 -0.00400 -0.00100
N 0.03800 0.01200 0.02300 0.00000 -0.00100 0.00000
O1 0.01200 0.04600 0.03600 0.00000 0.00100 0.00000
O2 0.01400 0.04800 0.02800 0.00000 -0.00600 0.00000
O3 0.03000 0.01300 0.01900 0.00000 0.00100 0.00000
O-H1 0.00400 0.01200 0.02700 0.00000 -0.00800 0.00000
O-H2 0.01700 0.00900 0.01800 -0.00400 -0.00500 0.00200
O-H3 0.00600 0.01100 0.02600 -0.00400 0.00100 0.00200
Wat1 0.02900 0.01900 0.02600 0.00000 0.00000 0.00000
Wat2 0.03500 0.01800 0.04300 0.00000 -0.00500 0.00000