data_global
_amcsd_formula_title 'H6 Li6 O21 P6'
loop_
_publ_author_name
'Toumi M'
'Hlel F'
'Ben Chaabane T'
'Smiri L'
'Laligant Y'
'Emery J'
_journal_name_full 'European Journal of Solid State and Inorganic Chemistry'
_journal_volume 45 
_journal_year 1998
_journal_page_first 689
_journal_page_last 697
_publ_section_title
;
 X-ray powder structure determination of Li6 P6 O18 . 3(H2 O)
 _cod_database_code 1000489
;
_database_code_amcsd 0012632
_chemical_formula_sum 'P2 O7 Li2 H2'
_cell_length_a 15.7442
_cell_length_b 15.7442
_cell_length_c 12.5486
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 2693.811
_exptl_crystal_density_diffrn      2.106
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
P1   0.47840   0.33220   0.03430
O1   0.45670   0.35990   0.14270
O2   0.70930   0.59590  -0.05080
O3   0.57340   0.42660  -0.01650
O4   0.25950   0.74050   0.93870
O5   0.23410   0.76590   0.69050
Li1   0.30800   0.00000   0.50000
Li2   0.18990   0.81010   0.58260
H1   0.17000   0.72000   0.74000