data_global
_chemical_name_mineral 'Gerhardtite'
loop_
_publ_author_name
'Bovio B'
'Locchi S'
_journal_name_full 'Journal of Crystallographic and Spectroscopic Research'
_journal_volume 12 
_journal_year 1982
_journal_page_first 507
_journal_page_last 517
_publ_section_title
;
 Crystal structure of the orthorhombic basic copper nitrate, Cu2(OH)3NO3
;
_database_code_amcsd 0013022
_chemical_compound_source 'Kalabi, Jadotville, Katanga'
_chemical_formula_sum 'Cu2 O6 N H3'
_cell_length_a 6.087
_cell_length_b 13.813
_cell_length_c 5.597
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 470.594
_exptl_crystal_density_diffrn      3.389
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Cu1   0.73000   0.24730   0.50090 ?
Cu2   0.48200   0.25100   0.00830 ?
O1   0.48910   0.13720   0.68820 ?
O2   0.62110   0.00400   0.54990 ?
O3   0.39290   0.00080   0.85920 ?
N   0.49940   0.04550   0.69490 ?
O4   0.48680   0.32250   0.38120   0.00684
O5   0.72600   0.31010   0.82240   0.00532
O6   0.23800   0.31210   0.82350   0.00215
H1   0.45630   0.38550   0.43070   0.00684
H2   0.79250   0.37030   0.79940   0.00532
H3   0.21250   0.37980   0.81560   0.00215
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 0.00657 0.01353 0.01047 -0.00043 -0.00017 -0.00235
Cu2 0.00375 0.01547 0.01127 0.00043 0.00017 -0.00078
O1 0.00563 0.01160 0.02698 -0.00469 -0.00397 -0.00039
O2 0.08634 0.03093 0.00508 0.02002 0.01502 0.00313
O3 0.04993 0.02803 0.01000 -0.00128 0.01208 0.00822
N 0.01633 0.02223 0.00381 -0.00213 -0.00345 -0.00666