data_1001669
_chemical_name_systematic          'Mercury divanadium(III) bis(diphosphate)'
_chemical_formula_structural       'Hg (V2 (P2 O7)2)'
_chemical_formula_sum              'Hg O14 P4 V2'
_publ_section_title
;
Two new diphosphates with Sr V2 (P2 O7)2 structure: mercury and lead
phases
;
loop_
_publ_author_name
  'Boudin, S'
  'Grandin, A'
  'Leclaire, A'
  'Borel, M M'
  'Raveau, B'
_journal_name_full                 'Journal of Materials Chemistry'
_journal_coden_ASTM                JMACEP
_journal_volume                    4
_journal_year                      1994
_journal_page_first                1889
_journal_page_last                 1892
_journal_issue                     12
_cell_length_a                     4.848(1)
_cell_length_b                     6.892(1)
_cell_length_c                     8.077(2)
_cell_angle_alpha                  92.65(1)
_cell_angle_beta                   93.26(1)
_cell_angle_gamma                  106.23(1)
_cell_volume                       258.2
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P -1'
_symmetry_Int_Tables_number        2
_symmetry_cell_setting             triclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Hg2+   2.000
  V3+    3.000
  P5+    5.000
  O2-   -2.000
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+   1 b 0. 0. 0.5 1.  0 d
  V1    V3+    1 a 0. 0. 0. 1.  0 d
  V2    V3+    1 h 0.5 0.5 0.5 1.  0 d
  P1    P5+    2 i 0.3817(1) 0.75873(8) 0.80628(8) 1.  0 d
  P2    P5+    2 i 0.9714(1) 0.35984(8) 0.74191(8) 1.  0 d
  O1    O2-    2 i 0.1755(4) -0.1107(3) -0.1913(3) 1.  0 d
  O2    O2-    2 i -0.1218(4) 0.1812(3) -0.1584(3) 1.  0 d
  O3    O2-    2 i -0.3752(4) -0.1916(3) -0.0624(3) 1.  0 d
  O4    O2-    2 i 0.1322(4) 0.3041(3) 0.5893(3) 1.  0 d
  O5    O2-    2 i 0.7310(4) 0.4425(3) 0.6837(3) 1.  0 d
  O6    O2-    2 i 0.4739(4) 0.7447(3) 0.6283(3) 1.  0 d
  O7    O2-    2 i 0.2071(4) 0.5318(3) 0.8472(3) 1.  0 d
_refine_ls_R_factor_all            0.027