data_1011297
_chemical_name_systematic          'Nickel sulfate(VI) heptahydrate'
_chemical_name_mineral             'Morenosite'
_chemical_formula_structural       'Ni (S O4) (H2 O)7'
_chemical_formula_sum              'H14 Ni O11 S'
_publ_section_title
;
The crystal structure of nickel sulphate heptahydrate Ni S O4 (H2 O)7
;
loop_
_publ_author_name
  'Beevers, C A'
  'Schwartz, C M'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    91
_journal_year                      1935
_journal_page_first                157
_journal_page_last                 169
_cell_length_a                     11.86
_cell_length_b                     12.08
_cell_length_c                     6.81
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       975.7
_cell_formula_units_Z              4
_exptl_crystal_density_meas        1.98
_symmetry_space_group_name_H-M     'P 21 21 21'
_symmetry_Int_Tables_number        19
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,-y,1/2+z'
  '1/2+x,1/2-y,-z'
  '-x,1/2+y,1/2-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ni2+   2.000
  S6+    6.000
  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
  Ni1   Ni2+   4 a 0.42 0.11 0.04 1.  0 d
  S1    S6+    4 a 0.725 0.185 0.49 1.  0 d
  O1    O2-    4 a 0.69 0.08 0.43 1.  0 d
  O2    O2-    4 a 0.86 0.19 0.48 1.  0 d
  O3    O2-    4 a 0.69 0.19 0.69 1.  0 d
  O4    O2-    4 a 0.68 0.28 0.37 1.  0 d
  O5    O2-    4 a 0.26 0.17 0.01 1.  2 d
  O6    O2-    4 a 0.46 0.25 0.19 1.  2 d
  O7    O2-    4 a 0.46 0.18 -0.21 1.  2 d
  O8    O2-    4 a 0.57 0.04 0.05 1.  2 d
  O9    O2-    4 a 0.36 -0.04 -0.09 1.  2 d
  O10   O2-    4 a 0.36 0.03 0.29 1.  2 d
  O11   O2-    4 a 0.48 0.44 -0.07 1.  2 d
  H1    H1+    4 a 0.25 0.23 0.11 1.  0 d
  H2    H1+    4 a 0.21 0.19 -0.1 1.  0 d
  H3    H1+    4 a 0.4 0.29 0.27 1.  0 d
  H4    H1+    4 a 0.53 0.25 0.27 1.  0 d
  H5    H1+    4 a 0.43 0.23 -0.32 1.  0 d
  H6    H1+    4 a 0.54 0.18 -0.23 1.  0 d
  H7    H1+    4 a 0.62 0.07 0.16 1.  0 d
  H8    H1+    4 a 0.59 -0.04 0.04 1.  0 d
  H9    H1+    4 a 0.42 -0.05 -0.18 1.  0 d
  H10   H1+    4 a 0.34 -0.12 -0.05 1.  0 d
  H11   H1+    4 a 0.4 0. 0.4 1.  0 d
  H12   H1+    4 a 0.28 0.03 0.33 1.  0 d
  H13   H1+    4 a 0.47 0.38 0.03 1.  0 d
  H14   H1+    4 a 0.42 0.49 -0.04 1.  0 d