data_global
_chemical_name_mineral 'Rooseveltite'
loop_
_publ_author_name
'Bedlivy D'
'Mereiter K'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 38 
_journal_year 1982
_journal_page_first 1559
_journal_page_last 1561
_publ_section_title
;
 Structure of alpha-BiAsO4 (rooseveltite)
 Note: AnisoU's from ICSD
;
_database_code_amcsd 0009764
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Bi As O4'
_cell_length_a 6.879
_cell_length_b 7.159
_cell_length_c 6.732
_cell_angle_alpha 90
_cell_angle_beta 104.84
_cell_angle_gamma 90
_cell_volume 320.471
_exptl_crystal_density_diffrn      7.211
_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_U_iso_or_equiv
Bi   0.28164   0.13373   0.08411   0.01191
As   0.29886   0.16251   0.61232   0.00659
O1   0.26180   0.00110   0.42790   0.01140
O2   0.38700   0.35360   0.51910   0.01393
O3   0.47310   0.10250   0.83180   0.01140
O4   0.10900   0.20740   0.71990   0.01393
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
Bi 0.01330 0.01160 0.01080 0.00180 0.00430 -0.00090
As 0.00680 0.00730 0.00560 -0.00040 0.00140 0.00010