data_global
_chemical_name_mineral 'Epsomite'
loop_
_publ_author_name
'Calleri M'
'Gavetti A'
'Ivaldi G'
'Rubbo M'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 40 
_journal_year 1984
_journal_page_first 218
_journal_page_last 222
_publ_section_title
;
 Synthetic epsomite, MgSO4.7H2O: Absolute configuration and surface features
 of the complementary {111} forms
;
_database_code_amcsd 0021005
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Mg S O11 H14'
_cell_length_a 11.887
_cell_length_b 12.013
_cell_length_c 6.861
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 979.741
_exptl_crystal_density_diffrn      1.671
_symmetry_space_group_name_H-M 'P 21 21 21'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg   0.42279   0.10616   0.04023   0.01810
S   0.72658   0.18391   0.49046   0.01800
O1   0.68483   0.07519   0.42752   0.03860
O2   0.85049   0.18643   0.48316   0.03050
O3   0.68864   0.20604   0.69088   0.03380
O4   0.68056   0.27242   0.36211   0.02890
OW1   0.26513   0.17375   0.00335   0.02980
OW2   0.47188   0.24819   0.19796   0.02340
OW3   0.46916   0.17613   0.77947   0.02950
OW4   0.58271   0.04587   0.07720   0.03440
OW5   0.37616   0.96138   0.88932   0.02710
OW6   0.36233   0.03435   0.29140   0.03230
OW7   0.49164   0.43790   0.93903   0.03390
H1   0.23430   0.22740   0.07500   0.03600
H2   0.23950   0.18640  -0.11790   0.03600
H3   0.42630   0.26390   0.29470   0.02800
H4   0.54070   0.24420   0.25280   0.02800
H5   0.43970   0.23670   0.70720   0.03500
H6   0.54160   0.18570   0.73930   0.03500
H7   0.62570   0.06650   0.18580   0.04100
H8   0.61000  -0.02230   0.04010   0.04100
H9   0.36130   0.89050   0.93160   0.03200
H10   0.41170   0.95400   0.78490   0.03200
H11   0.28960   0.03330   0.33580   0.03900
H12   0.40450  -0.00090   0.39460   0.03900
H13   0.42410   0.47910   0.93450   0.04100
H14   0.47460   0.37770   0.98940   0.04100
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
Mg 0.01700 0.01900 0.01800 0.00000 0.00000 0.00000
S 0.01600 0.02000 0.01700 -0.00100 -0.00100 0.00000
O1 0.05500 0.02400 0.03700 -0.01100 -0.01100 -0.00200
O2 0.01700 0.04600 0.02900 0.00400 0.00000 0.00300
O3 0.02800 0.05300 0.02100 -0.01000 0.00500 -0.00700
O4 0.02600 0.03000 0.03100 0.00300 -0.00500 0.00700
OW1 0.02300 0.04200 0.02400 0.01000 -0.00200 -0.00300
OW2 0.02000 0.02700 0.02400 -0.00100 0.00000 -0.00500
OW3 0.02300 0.04000 0.02500 0.00100 0.00400 0.01100
OW4 0.02800 0.04200 0.03300 0.01700 -0.00800 -0.01100
OW5 0.03200 0.02300 0.02600 -0.00400 0.00000 -0.00400
OW6 0.03000 0.04000 0.02600 -0.00200 0.00400 0.01000
OW7 0.04100 0.02700 0.03400 0.00100 0.00500 0.00300