data_global
_chemical_name_mineral 'Koechlinite'
loop_
_publ_author_name
'Teller R G'
'Brazdil J F'
'Grasselli R K'
'Jorgensen J D'
_journal_name_full 'Acta Crystallographica, Section C'
_journal_volume 40 
_journal_year 1984
_journal_page_first 2001
_journal_page_last 2005
_publ_section_title
;
 The structure of gamma-bismuth molybdate, Bi2MoO6, by powder neutron diffraction
;
_database_code_amcsd 0009999
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Bi2 Mo O6'
_cell_length_a 5.4822
_cell_length_b 16.1986
_cell_length_c 5.5091
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 489.230
_exptl_crystal_density_diffrn      8.280
_symmetry_space_group_name_H-M 'P c a 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,-y,z'
  '1/2-x,y,1/2+z'
  '-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bi1   0.51800   0.42320   0.98140   0.00380
Bi2   0.48220   0.07830   0.98970   0.01267
Mo   0.00280   0.24880   0.00000   0.00633
O1   0.05560   0.14070   0.09590   0.00380
O2   0.25940  -0.00170   0.27760   0.00507
O3   0.23600   0.50060   0.26640   0.01646
O4   0.69170   0.23220   0.25240   0.01140
O5   0.21210   0.26340   0.35500   0.01393
O6   0.56540   0.35890   0.57000   0.01773