data_9009986
_chemical_name 'Theoparacelsite'
loop_
_publ_author_name
'Sarp H'
'Cerny R'
_journal_name_full "Archives des Sciences, Geneve"
_journal_volume 54
_journal_year 2001
_journal_page_first 7
_journal_page_last 14
_publ_section_title
;
 Theoparacelsite, Cu3(OH)2As2O7, a new mineral:
 its description and crystal structure
 Locality: near Nice, France
;
_chemical_formula_sum 'Cu As.667 O3 H2.752'
_cell_length_a 8.3212
_cell_length_b 2.9377
_cell_length_c 4.6644
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 114.022
_symmetry_space_group_name_H-M 'P m m a'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,z'
  '-x,y,-z'
  '1/2-x,y,z'
  '1/2+x,-y,-z'
  '1/2+x,y,-z'
  '1/2-x,-y,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_Uiso_or_equiv
Cu   0.00000   0.00000   0.00000   1.00000   0.01970
As   0.25000   0.50000   0.54430   0.66667   0.02630
O-H1   0.08760   0.50000   0.77980   0.22222   0.02120
O1   0.08760   0.50000   0.77980   0.77778   0.02120
O-H2   0.25000   0.00000   0.36800   0.22222   0.10200
O2   0.25000   0.00000   0.36800   0.77778   0.10200