data_1008008
_chemical_name_systematic          'DILITHIUM MERCURY CATENA-PHOSPHATE'
_chemical_formula_structural       'HG LI2 (P O3)4'
_chemical_formula_sum              'Hg Li2 O12 P4'
_publ_section_title
;
Structures cristallines des polyphosphates de cadmium-lithium et de
mercure-lithium Cd Li~2~ (P O~3~)~4~ et Hg Li~2~ (P O~3~)~4~
;
loop_
_publ_author_name
  'Averbuch-Pouchot, M T'
  'Tordjman, I'
  'Guitel, J C'
_journal_name_full                 'Acta Crystallographica B (24,1968-38,1982)'
_journal_coden_ASTM                ACBCAR
_journal_volume                    32
_journal_year                      1976
_journal_page_first                2953
_journal_page_last                 2956
_cell_length_a                     9.525(2)
_cell_length_b                     9.989(3)
_cell_length_c                     9.461(2)
_cell_angle_alpha                  90
_cell_angle_beta                   92.01
_cell_angle_gamma                  90
_cell_volume                       899.6
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 1 21/a 1'
_symmetry_Int_Tables_number        14
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
  '1/2+x,1/2-y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Hg2+   2.000
  P5+    5.000
  O2-   -2.000
  Li1+   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
  Hg1   Hg2+   4 e 0.51198(3) 0.30962(4) 0.25329(5) 1.  0 d
  P1    P5+    4 e 0.2275(2) 0.4653(2) 0.2366(3) 1.  0 d
  P2    P5+    4 e 0.2996(2) 0.1012(2) 0.4940(3) 1.  0 d
  P3    P5+    4 e 0.3027(2) 0.9024(2) 0.2674(3) 1.  0 d
  P4    P5+    4 e 0.2944(2) 0.1068(2) 0.0359(3) 1.  0 d
  O1    O2-    4 e 0.1818(7) 0.3270(7) 0.2636(9) 1.  0 d
  O2    O2-    4 e 0.3828(7) 0.4860(7) 0.2415(9) 1.  0 d
  O3    O2-    4 e 0.1580(7) 0.5636(7) 0.3439(8) 1.  0 d
  O4    O2-    4 e 0.1588(7) 0.5144(9) 0.0930(9) 1.  0 d
  O5    O2-    4 e 0.1454(7) 0.1146(7) 0.4778(8) 1.  0 d
  O6    O2-    4 e 0.3947(7) 0.2137(7) 0.4612(8) 1.  0 d
  O7    O2-    4 e 0.8490(7) 0.5320(8) 0.4178(8) 1.  0 d
  O8    O2-    4 e 0.1485(6) 0.8861(7) 0.2567(8) 1.  0 d
  O9    O2-    4 e 0.3947(7) 0.7843(7) 0.2469(9) 1.  0 d
  O10   O2-    4 e 0.8518(7) 0.4781(8) 0.1683(8) 1.  0 d
  O11   O2-    4 e 0.1391(7) 0.1167(8) 0.0375(8) 1.  0 d
  O12   O2-    4 e 0.3822(8) 0.2290(7) 0.0342(8) 1.  0 d
  Li1   Li1+   4 e 0.004(2) 0.832(2) 0.390(2) 1.  0 d
  Li2   Li1+   4 e 0.005(2) 0.827(2) 0.104(4) 1.  0 d
_refine_ls_R_factor_all            0.036