data_global
_amcsd_formula_title 'Li0.5 Mo O11 P2 W'
loop_
_publ_author_name
'Leclaire A'
'Borel M'
'Chardon J'
'Raveau B'
_journal_name_full 'Materials Research Bulletin'
_journal_volume 31 
_journal_year 1996
_journal_page_first 1257
_journal_page_last 1262
_publ_section_title
;
 Nonstoichiometry in the Li Mo2 (P O4)3 structure: the molybdenotungsten
 monophosphate Li0.5 Mo W O3 (P O4)2
 _cod_database_code 1001754
;
_database_code_amcsd 0014377
_chemical_formula_sum '(W2.001 Mo1.999) P4 Li O22'
_cell_length_a 7.735
_cell_length_b 12.655
_cell_length_c 8.324
_cell_angle_alpha 90
_cell_angle_beta 105.97
_cell_angle_gamma 90
_cell_volume 783.360
_exptl_crystal_density_diffrn      4.420
_symmetry_space_group_name_H-M 'P 1 21/m 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,z'
  '-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_occupancy
W1   0.27080   0.50078   0.34735   0.57200
Mo1   0.27080   0.50078   0.34735   0.42800
W2   0.73090   0.25000   0.17450   0.49700
Mo2   0.73090   0.25000   0.17450   0.50300
W3   0.68650   0.75000   0.16980   0.36000
Mo3   0.68650   0.75000   0.16980   0.64000
P1   0.32070   0.25000   0.25010   1.00000
P2   0.81600   0.50640   0.26090   1.00000
P3   0.13950   0.75000   0.40910   1.00000
Li1   0.50000   0.50000   0.00000   1.00000
O1   0.33710   0.51620   0.17130   1.00000
O2   0.50000   0.50000   0.50000   1.00000
O3   0.24470   0.65310   0.38400   1.00000
O4   0.25000   0.34780   0.32900   1.00000
O5   0.00170   0.50200   0.23280   1.00000
O6   0.17920   0.47330   0.56110   1.00000
O7   0.90300   0.25000   0.08800   1.00000
O8   0.54800   0.25000  -0.02400   1.00000
O9   0.70940   0.40750   0.18800   1.00000
O10   0.88900   0.25000   0.41600   1.00000
O11   0.52400   0.25000   0.29600   1.00000
O12   0.62300   0.75000   0.34400   1.00000
O13   0.95500   0.75000   0.28000   1.00000
O14   0.70450   0.59350   0.14500   1.00000
O15   0.76500   0.75000  -0.06100   1.00000