data_global
_chemical_name_mineral 'Molybdite'
loop_
_publ_author_name
'Sitepu H'
'O'Connor B H'
'Li D'
_journal_name_full 'Journal of Applied Crystallography'
_journal_volume 38 
_journal_year 2005
_journal_page_first 158
_journal_page_last 167
_publ_section_title
;
 Comparative evaluation of the March and generalized spherical harmonic
 preferred orientation models using X-ray diffraction data for molybdite
 and calcite powders
 Note: March model
;
_database_code_amcsd 0012870
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mo O3'
_cell_length_a 3.9621
_cell_length_b 13.855
_cell_length_c 3.6986
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 203.034
_exptl_crystal_density_diffrn      4.709
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-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
Mo   0.07500   0.10200   0.25000   0.01563
O1   0.52600   0.42600   0.25000   0.01012
O2   0.56600   0.08600   0.25000   0.01112
O3   0.01000   0.22400   0.25000   0.01495