data_global
_chemical_name_mineral 'Linarite'
loop_
_publ_author_name
'Schofield P F'
'Wilson C C'
'Knight K S'
'Kirk C A'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 47 
_journal_year 2009
_journal_page_first 649
_journal_page_last 662
_publ_section_title
;
 Proton location and hydrogen bonding in the hydrous lead copper
 sulfates linarite, PbCu(SO4)(OH)2, and caledonite, Pb5Cu2(SO4)3CO3(OH)6
;
_database_code_amcsd 0006293
_chemical_compound_source 'Leadhills, Lanarkshire, Scotland'
_chemical_formula_sum 'Pb Cu S O6 H2'
_cell_length_a 9.682
_cell_length_b 5.646
_cell_length_c 4.683
_cell_angle_alpha 90
_cell_angle_beta 102.66
_cell_angle_gamma 90
_cell_volume 249.770
_exptl_crystal_density_diffrn      5.330
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb   0.34200   0.25000   0.01230
Cu   0.00000   0.00000   0.00000
S   0.66870   0.25000   0.55600
O1   0.52540   0.25000   0.59000
O2   0.66240   0.25000   0.23400
O3   0.25270   0.53720   0.31070
O4   0.96620   0.25000   0.25260
O5   0.09590   0.25000   0.82650
H5   0.05550   0.25000   0.60500
H4   0.86820   0.25000   0.25600
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
Pb 0.01400 0.02200 0.02100 0.00000 0.00700 0.00000
Cu 0.01400 0.00920 0.00900 0.00160 0.00400 -0.00050
S 0.00700 0.00800 0.01100 0.00000 0.00100 0.00000
O1 0.01200 0.02200 0.02400 0.00000 0.00600 0.00000
O2 0.02400 0.03800 0.01300 0.00000 0.00600 0.00000
O3 0.01500 0.01450 0.02300 -0.00040 0.00400 -0.00240
O4 0.01200 0.01070 0.00900 0.00000 0.00300 0.00000
O5 0.01000 0.01180 0.01000 0.00000 0.00300 0.00000
H5 0.02100 0.02400 0.01800 0.00000 0.00400 0.00000
H4 0.02100 0.02900 0.03600 0.00000 0.01400 0.00000