data_global
_amcsd_formula_title 'Al0.67 La3 Mo4.33 O14'
loop_
_publ_author_name
'McCarroll W'
'Podejko K'
'Cheetham A'
'Thomas D'
'DiSalvo F'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 62 
_journal_year 1986
_journal_page_first 241
_journal_page_last 252
_publ_section_title
;
 The crystal structure of La3 Mo4.33 Al.67 O14 and the electronic
 structure of La3 Mo4 X O14 (X=Si, Mo1/3 Al2/3; Al1/2 V1/2)
 _cod_database_code 1005018
;
_database_code_amcsd 0013577
_chemical_formula_sum 'La3 Mo4.308 Al.692 O14'
_cell_length_a 17.750
_cell_length_b 5.6600
_cell_length_c 11.070
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1112.148
_exptl_crystal_density_diffrn      6.406
_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_occupancy
La1   0.33565   0.25000   0.13199   1.00000
La2   0.34657   0.25000   0.49908   1.00000
La3   0.53414   0.25000   0.69746   1.00000
Mo1   0.33906   0.02356   0.82069   1.00000
Mo2   0.21638   0.25000   0.86281   1.00000
Mo3   0.50834   0.22190   0.00788   0.50000
Mo4   0.05480   0.25000   0.09680   0.30800
Al1   0.06620   0.25000   0.11140   0.69200
O1  -0.02460   0.25000   0.05490   1.00000
O2   0.13180   0.25000   0.99490   0.70000
O3   0.08500  -0.01490   0.18590   0.35000
O4   0.28900   0.75000   0.74460   1.00000
O5  -0.22060   0.25000   0.79180   1.00000
O6   0.15260  -0.00010   0.80230   1.00000
O7  -0.27090   0.50700   0.03390   1.00000
O8  -0.09990   0.75000   0.59940   1.00000
O9   0.04460   0.00100   0.61120   1.00000
O10   0.09460   0.75000   0.40960   1.00000
O11  -0.03040   0.25000   0.01200   1.00000
O12   0.12410   0.25000   0.97920   0.30000
O13   0.08090  -0.00840   0.18120   0.15000
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
La1 0.00580 0.00910 0.00520 0.00000 -0.00010 0.00000
La2 0.00710 0.00990 0.00620 0.00000 -0.00020 0.00000
La3 0.00440 0.01480 0.02150 0.00000 0.00060 0.00000
Mo1 0.00370 0.00520 0.00500 0.00040 0.00040 -0.00070
Mo2 0.00340 0.00640 0.00490 0.00000 -0.00010 0.00000
Mo3 0.00440 0.00750 0.00760 0.00000 0.00050 0.00000
Mo4 0.03160 0.01240 0.01340 0.00000 -0.00190 0.00000
Al1 0.03160 0.01240 0.01340 0.00000 -0.00190 0.00000