data_2200782
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2001
_journal_volume  57
_journal_page_first  i109
_journal_page_last  i111
_publ_section_title
;
Zinc(II) sulfate tetrahydrate
;
loop_
_publ_author_name
  'Blake, Alexander J.'
  'Cooke, Paul A.'
  'Hubberstey, Peter'
  'Sampson, Claire L.'
_chemical_name_common
;
zinc(II) sulfate tetrahydrate
;
_chemical_formula_moiety  'H16 O16 S2 Zn2'
_chemical_formula_sum  'H16 O16 S2 Zn2'
_chemical_formula_iupac  '[Zn (S O4) (H2 O)4]2'
_chemical_formula_weight  467.05
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/n'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x-1/2, -y-1/2, z-1/2'
_cell_length_a  5.904(3)
_cell_length_b  13.519(6)
_cell_length_c  7.883(6)
_cell_angle_alpha  90.00
_cell_angle_beta  90.26(6)
_cell_angle_gamma  90.00
_cell_volume  629.2(6)
_cell_formula_units_Z  2
_cell_measurement_temperature  150(2)
_exptl_crystal_density_diffrn  2.465
_diffrn_ambient_temperature  150(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
  Zn1  .43030(19)  .39673(9)  .28136(15)  .0106(4) Uani d . 1 . . Zn
  S1  .3058(4)  .39213(19)  .6765(3)  .0092(6) Uani d . 1 . . S
  O11  .2461(11)  .4269(5)  .5047(9)  .0114(15) Uani d . 1 . . O
  O12  .4980(12)  .4499(5)  .7438(9)  .0140(16) Uani d D 1 . . O
  O13  .3669(12)  .2875(5)  .6757(9)  .0124(16) Uani d . 1 . . O
  O14  .1080(11)  .4078(5)  .7876(9)  .0115(15) Uani d . 1 . . O
  O1  .3173(12)  .2508(5)  .2833(9)  .0139(16) Uani d D 1 . . O
  H11  .249(17)  .236(7)  .196(9)  .021 Uiso d D 1 . . H
  H12  .404(15)  .205(5)  .305(13)  .021 Uiso d D 1 . . H
  O2  .7276(12)  .3591(5)  .4138(9)  .0135(16) Uani d D 1 . . O
  H21  .817(15)  .314(6)  .430(10)  .020 Uiso d D 1 . . H
  H22  .673(17)  .378(7)  .506(6)  .020 Uiso d D 1 . . H
  O3  .1325(13)  .4221(5)  .1464(9)  .0145(16) Uani d D 1 . . O
  H31  .064(18)  .474(4)  .159(11)  .022 Uiso d D 1 . . H
  H32  .159(19)  .415(7)  .045(3)  .022 Uiso d D 1 . . H
  O4  .6135(13)  .3754(5)  .0582(9)  .0149(17) Uani d D 1 . . O
  H41  .683(18)  .323(5)  .058(12)  .022 Uiso d D 1 . . H
  H42  .584(19)  .391(8)  -.040(5)  .022 Uiso d D 1 . . H
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
  Zn1  .0099(6)  .0093(6)  .0127(6)  -.0006(5)  -.0004(4)  -.0006(5)
  S1  .0096(12)  .0069(12)  .0112(13)  -.0002(10)  -.0017(9)  .0006(11)
  O11  .011(4)  .014(4)  .009(4)  -.003(3)  .001(3)  -.007(3)
  O12  .020(4)  .006(3)  .016(4)  -.004(3)  -.008(3)  .002(3)
  O13  .013(4)  .009(4)  .015(4)  -.002(3)  .001(3)  .000(3)
  O14  .010(3)  .008(3)  .016(4)  .000(3)  .002(3)  -.003(3)
  O1  .014(4)  .012(4)  .016(4)  .006(3)  -.007(3)  .002(3)
  O2  .016(4)  .014(4)  .011(4)  .006(3)  .000(3)  -.002(3)
  O3  .020(4)  .013(4)  .011(4)  .006(3)  .000(3)  .001(3)
  O4  .020(4)  .013(4)  .011(4)  .008(3)  .002(3)  .000(3)
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
  Zn1 O1 . 2.083(8) Yes
  Zn1 O2 . 2.101(7) Yes
  Zn1 O3 . 2.080(8) Yes
  Zn1 O4 . 2.089(7) Yes
  Zn1 O11 . 2.113(7) Yes
  Zn1 O12 3_666 2.125(7) Yes
  S1 O11 . 1.475(7) Yes
  S1 O12 . 1.475(7) Yes
  S1 O13 . 1.460(7) Yes
  S1 O14 . 1.479(7) Yes