data_global
_amcsd_formula_title 'La5Mo4O16'
loop_
_publ_author_name
'Ledesert M'
'Labbe P'
'McCarroll W'
'Leligny H'
'Raveau B'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 105 
_journal_year 1993
_journal_page_first 143
_journal_page_last 150
_publ_section_title
;
 La5Mo4O16: a new structural type related to perovskite
 with extremely short Mo-Mo bonds
 _cod_database_code 1001567
;
_database_code_amcsd 0013781
_chemical_formula_sum 'La5 Mo4 O16'
_cell_length_a 7.9638
_cell_length_b 7.9958
_cell_length_c 10.3345
_cell_angle_alpha 90
_cell_angle_beta 95.067
_cell_angle_gamma 90
_cell_volume 655.498
_exptl_crystal_density_diffrn      6.760
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,z'
  '1/2+x,1/2-y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La1   0.27297   0.24497   0.21054   1.00000
La2   0.00000   0.00000   0.50000   1.00000
Mo1   0.00000   0.00000   0.00000   1.00000
Mo2   0.50000   0.00000   0.00000   1.00000
Mo3   0.56078   0.00000   0.39747   1.00000
O1   0.03750   0.26300   0.35850   1.00000
O2   0.28630   0.50000   0.32630   1.00000
O3   0.30870   0.00000   0.43140   1.00000
O4   0.46010   0.00000   0.18890   1.00000
O5   0.07290   0.00000   0.17400   1.00000
O6   0.04600   0.25000   0.00000   0.50000
O7   0.24600   0.96700   0.95740   0.50000