data_global
_chemical_name_mineral 'Conichalcite'
loop_
_publ_author_name
'Sakai S'
'Yoshiasa A'
'Sugiyama K'
'Miyawaki R'
_journal_name_full 'Journal of Mineralogical and Petrological Sciences'
_journal_volume 104 
_journal_year 2009
_journal_page_first 125
_journal_page_last 131
_publ_section_title
;
 Crystal structure and chemistry of conichalcite, CaCu(AsO4)(OH)
;
_database_code_amcsd 0018381
_chemical_compound_source 'Gozaisho mine, Fukushima, Japan'
_chemical_formula_sum 'Ca (Cu.87 Mg.13) As O5 H'
_cell_length_a 7.429
_cell_length_b 5.852
_cell_length_c 9.215
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 400.618
_exptl_crystal_density_diffrn      4.219
_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_occupancy
_atom_site_U_iso_or_equiv
Ca   0.11690   0.27000   0.42530   1.00000   0.01230
Cu   0.00490  -0.00140   0.74900   0.87000   0.01670
Mg   0.00490  -0.00140   0.74900   0.13000   0.01670
As   0.36790  -0.23550   0.57910   1.00000   0.01670
O1   0.18950  -0.25500   0.69570   1.00000   0.01700
O2   0.53800  -0.17100   0.69000   1.00000   0.02500
O3   0.38700   0.51500   0.48800   1.00000   0.02200
O4   0.35500  -0.00800   0.46700   1.00000   0.02000
O5   0.13700   0.25500   0.68100   1.00000   0.02000
H   0.23000   0.21000   0.70000   1.00000   0.02000