data_global
_chemical_name_mineral 'Chloroxiphite'
loop_
_publ_author_name
'Siidra O I'
'Krivovichev S V'
'Turner R W'
'Rumsey M S'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 72 
_journal_year 2008
_journal_page_first 793
_journal_page_last 798
_publ_section_title
;
 Chloroxiphite Pb3CuO2(OH)2Cl2: structure refinement and description in
 terms of oxocentred OPb4 tetrahedra
;
_database_code_amcsd 0019224
_chemical_compound_source 'Merehead Quarry, Somerset, England'
_chemical_formula_sum 'Pb3 Cu O4 Cl2 H2'
_cell_length_a 6.6972
_cell_length_b 5.7538
_cell_length_c 10.4686
_cell_angle_alpha 90
_cell_angle_beta 97.747
_cell_angle_gamma 90
_cell_volume 399.719
_exptl_crystal_density_diffrn      6.830
_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
_atom_site_U_iso_or_equiv
Pb1   0.65691   0.25000   0.94966   0.01154
Pb2   0.13269   0.25000   0.82594   0.01198
Pb3   0.53955   0.25000   0.28320   0.01272
Cu1   0.00000   0.00000   0.50000   0.01510
O1   0.61250   0.00160   0.13110   0.01230
O-H2   0.92130   0.25000   0.37100   0.01340
O-H3   0.16800   0.25000   0.58970   0.01120
Cl1   0.13080   0.25000   0.12050   0.01700
Cl2   0.68340   0.25000   0.61470   0.02740
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
Pb1 0.00890 0.00970 0.01600 0.00000 0.00163 0.00000
Pb2 0.01020 0.01140 0.01380 0.00000 0.00052 0.00000
Pb3 0.01320 0.01200 0.01280 0.00000 0.00098 0.00000
Cu1 0.01850 0.01070 0.01410 0.00340 0.00510 0.00170
O1 0.01200 0.00700 0.01800 0.00100 0.00100 0.00200
O-H2 0.01200 0.01300 0.01400 0.00000 0.00100 0.00000
O-H3 0.01300 0.00400 0.01500 0.00000 0.00300 0.00000
Cl1 0.01560 0.01620 0.01800 0.00000 0.00170 0.00000
Cl2 0.01970 0.03800 0.02380 0.00000 0.00120 0.00000