data_global
_chemical_name_mineral 'Rollandite'
loop_
_publ_author_name
'Sarp H'
'Cerny R'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 12 
_journal_year 2000
_journal_page_first 1045
_journal_page_last 1050
_publ_section_title
;
 Rollandite, Cu3(AsO4)2.4H2O, a new mineral: its description and crystal structure
;
_database_code_amcsd 0006846
_chemical_formula_sum 'Cu3 As2 O12 H8'
_cell_length_a 5.6906
_cell_length_b 17.061
_cell_length_c 9.732
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 944.854
_exptl_crystal_density_diffrn      3.800
_symmetry_space_group_name_H-M 'P n m a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
  '1/2+x,1/2-y,1/2-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-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_U_iso_or_equiv
Cu1   0.42640   0.51379   0.35100   0.00990
Cu2   0.02300   0.25000   0.22140   0.00720
As   0.36490   0.10323   0.10043   0.00610
O1   0.01900   0.14630   0.52310   0.01300
O2   0.02400   0.03510   0.31880   0.00900
O3   0.11600   0.06110   0.03650   0.01000
Wat4   0.27500   0.59620   0.23860   0.01100
O5   0.28000   0.17450   0.21500   0.00800
Wat6   0.21400   0.25000   0.82300   0.02500
Wat7   0.36000   0.25000   0.48470   0.01100