data_global
_chemical_name_mineral 'Yvonite'
loop_
_publ_author_name
'Sarp H'
'Cerny R'
_journal_name_full 'American Mineralogist'
_journal_volume 83 
_journal_year 1998
_journal_page_first 383
_journal_page_last 389
_publ_section_title
;
 Description and crystal structure of yvonite, Cu(AsO3OH)2H2O
;
_database_code_amcsd 0001977
_chemical_formula_sum 'Cu As (O6 H5)'
_cell_length_a 7.632
_cell_length_b 11.168
_cell_length_c 6.020
_cell_angle_alpha 89.32
_cell_angle_beta 86.55
_cell_angle_gamma 74.43
_cell_volume 493.380
_exptl_crystal_density_diffrn      3.224
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cu1   0.11410   0.80340   0.21450
Cu2   0.08650   0.66310   0.72430
As1   0.16630   0.07300   0.14640
As2   0.15790   0.36760   0.67520
O-H1   0.34800   0.13770   0.10200
Wat2   0.70900   0.28700   0.14700
Wat3   0.37500   0.45190   0.15900
O4   0.00300   0.66860   0.16100
O5   0.24700   0.92710   0.24200
O6   0.01700   0.16080   0.33500
Wat7   0.63300   0.08440   0.34600
Wat8   0.31600   0.68040   0.35500
O9   0.11300   0.38040   0.40400
O-H10   0.36200   0.24570   0.69000
O11   0.21900   0.49080   0.76600
O12   0.09400   0.07470   0.88900
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 0.01200 0.00800 0.01800 -0.00310 -0.00600 0.00380
Cu2 0.01300 0.00900 0.01500 -0.00100 -0.00500 -0.00020
As1 0.00910 0.00700 0.01300 -0.00100 -0.00140 0.00280
As2 0.00750 0.00650 0.01300 -0.00050 -0.00140 -0.00010
O-H1 0.01300 0.01100 0.01200 -0.00500 0.00200 0.00000
Wat2 0.01200 0.01100 0.00500 -0.00200 0.00300 -0.00200
Wat3 0.01300 0.01000 0.01400 -0.00200 0.00200 -0.00100
O4 0.01000 0.01100 0.01600 -0.00500 0.00300 -0.00100
O5 0.01000 0.00900 0.01300 -0.00200 0.00000 0.00100
O6 0.01100 0.01100 0.01500 -0.00200 0.00200 -0.00400
Wat7 0.01700 0.01900 0.01800 -0.00600 -0.00400 0.00300
Wat8 0.01700 0.01800 0.01300 -0.00400 -0.00300 0.00400
O9 0.01200 0.01600 0.01000 -0.00300 0.00000 -0.00200
O-H10 0.01300 0.01600 0.02000 0.00000 -0.00400 0.00100
O11 0.01000 0.01200 0.01100 -0.00400 -0.00400 -0.00100
O12 0.01400 0.01600 0.01600 -0.00100 -0.00500 0.00100