data_2012578
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  i35
_journal_page_last  i36
_publ_section_title
;
HgWO~4~ synthesised under high pressure and temperature
;
loop_
_publ_author_name
  '\%Asberg Dahlborg, Magnus B.'
  'Svensson, G\"oran'
_chemical_formula_moiety  'Hg W O4'
_chemical_formula_sum  'Hg O4 W'
_chemical_formula_iupac  'Hg W O4'
_chemical_formula_weight  448.44
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'C 2/c'
_symmetry_space_group_name_Hall  '-c_2yc'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z+1/2'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y, z-1/2'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, -y+1/2, z-1/2'
_cell_length_a  11.3791(4)
_cell_length_b  6.00794(15)
_cell_length_c  5.1456(3)
_cell_angle_alpha  90
_cell_angle_beta  113.202(3)
_cell_angle_gamma  90
_cell_volume  323.33(2)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  9.212
_diffrn_ambient_temperature  293(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  W  .0  .18680(5)  .2500  .00752(12) Uani d S 1 . . W
  Hg  .2500  .2500  .0  .01209(13) Uani d S 1 . . Hg
  O1  .0966(4)  .0918(8)  .0291(9)  .0109(8) Uani d . 1 . . O
  O2  .1151(5)  .3660(10)  .4723(11)  .0157(8) Uani d . 1 . . O
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  W  .00837(16)  .00798(19)  .00758(16)  .000  .00460(11)  .000
  Hg  .00990(17)  .0150(2)  .01329(19)  -.00413(9)  .00661(13)  -.00038(9)
  O1  .0100(15)  .016(2)  .0099(15)  -.0024(14)  .0070(13)  -.0034(14)
  O2  .018(2)  .014(2)  .015(2)  -.0049(19)  .0063(16)  -.0003(18)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  W O2 . 1.733(5) yes
  W O1 . 1.953(4) yes
  W O1 5 2.197(5) yes
  Hg O1 7 2.044(4) yes
  Hg O2 7_556 2.633(5) yes
  Hg O2 4_545 2.743(5) yes
  Hg O1 6 3.131(5) yes
  W W 5 3.4143(4) yes
  W Hg . 3.57426(12) yes
  W Hg 3_445 3.7082(2) yes