data_1000142
_chemical_name_systematic
;
Lithium hydrogen antimony oxide (0.4/0.6/1/3)
;
_chemical_formula_structural       'Li0.4 H0.6 Sb O3'
_chemical_formula_sum              'H.6 Li.4 O3 Sb'
_publ_section_title
;
Li+ / H+ topotactic exchange on Li Sb O3: The series Li(1-x) Hx Sb O3
(0<=x<=1).
;
loop_
_publ_author_name
  'Fourquet, J L'
  'Gillet, P A'
  'Le Bail, A'
_journal_name_full                 'Materials Research Bulletin'
_journal_coden_ASTM                MRBUAC
_journal_volume                    24
_journal_year                      1989
_journal_page_first                1207
_journal_page_last                 1214
_cell_length_a                     4.7260(5)
_cell_length_b                     8.659(1)
_cell_length_c                     5.2306(6)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       214.0
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P n c n'
_symmetry_Int_Tables_number        52
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '1/2-x,1/2-y,z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2+y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Li1+   1.000
  Sb5+   5.000
  O2-   -2.000
  H1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Li1   Li1+   4 c 0. 0.717(8) 0.25 0.4  0 d
  Sb1   Sb5+   4 c 0. 0.0970(1) 0.25 1.  0 d
  O1    O2-    4 d 0.25 0.25 0.397(2) 1.  0 d
  O2    O2-    8 e 0.222(1) 0.0710(8) 0.929(1) 1.  0 d
  H1    H1+    4 c -1. -1. -1. 0.6  0 dum
_refine_ls_R_factor_all            0.0992