data_global
_chemical_name_mineral 'Burgessite'
loop_
_publ_author_name
'Cooper M A'
'Hawthorne F C'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 47 
_journal_year 2009
_journal_page_first 165
_journal_page_last 172
_publ_section_title
;
 The crystal structure of burgessite, Co2(H2O)4[AsO3(OH)]2(H2O),
 and its relation to erythrite
;
_database_code_amcsd 0006277
_chemical_compound_source 'Keeley mine, South Lorrain Township, Timiskaming District, Ontario, Canada'
_chemical_formula_sum 'Co As O6.5 H6'
_cell_length_a 4.7058
_cell_length_b 9.299
_cell_length_c 12.738
_cell_angle_alpha 90
_cell_angle_beta 98.933
_cell_angle_gamma 90
_cell_volume 550.644
_exptl_crystal_density_diffrn      2.942
_symmetry_space_group_name_H-M 'P 1 21/n 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Co   0.44980   0.46010   0.37868   1.00000   0.01700
As   0.48370   0.18791   0.03248   1.00000   0.01480
O1   0.14800   0.63290   0.35890   1.00000   0.01900
O2   0.28120   0.40830   0.51680   1.00000   0.01400
O3   0.75900   0.29680   0.41950   1.00000   0.01900
O-H4   0.60000   0.36150   0.06760   1.00000   0.03100
O5   0.62700   0.53110   0.24880   1.00000   0.01900
O6   0.17000   0.33170   0.27670   1.00000   0.02300
Wat7   0.44400   0.05200   0.42780   0.50000   0.03100
H1   0.64000   0.47000   0.18600   1.00000   0.03000
H2   0.81800   0.57300   0.27100   1.00000   0.03000
H3   0.04000   0.27000   0.31200   1.00000   0.03000
H4   0.26000   0.27200   0.22800   1.00000   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
Co 0.01380 0.01950 0.01830 0.00040 0.00430 -0.00190
As 0.01240 0.01500 0.01780 0.00070 0.00430 0.00080
O1 0.01700 0.02500 0.01500 0.00500 0.00400 -0.00600
O2 0.01600 0.01000 0.01700 0.00700 0.00200 -0.00600
O3 0.01200 0.02700 0.01700 0.00700 0.00300 -0.00600
O-H4 0.04800 0.01500 0.03300 -0.00600 0.01100 -0.00500
O5 0.01700 0.02500 0.01600 0.00000 0.00700 -0.00400
O6 0.01800 0.02300 0.02700 -0.00600 0.00600 -0.00400