data_global
_amcsd_formula_title 'MgSeO4*6H2O'
loop_
_publ_author_name
'Kolitsch U'
_journal_name_full 'Acta Crystallographica, Section E'
_journal_volume 58 
_journal_year 2002
_journal_page_first i3
_journal_page_last i5
_publ_section_title
;
 Magnesium selenate hexahydrate, MgSeO4*6H2O
;
_database_code_amcsd 0010373
_chemical_formula_sum 'Mg Se O10 H12'
_cell_length_a 10.2240
_cell_length_b 7.3700
_cell_length_c 24.866
_cell_angle_alpha 90
_cell_angle_beta 98.410
_cell_angle_gamma 90
_cell_volume 1853.527
_exptl_crystal_density_diffrn      1.973
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Mg1   0.00000   0.55734   0.25000   0.02230
Mg2   0.00000   0.50000   0.50000   0.02481
Se   0.13313   0.05118   0.37593   0.02280
O1   0.00439   0.05561   0.32896   0.04370
O2   0.20993   0.24717   0.38015   0.03460
O3   0.23457  -0.11099   0.36311   0.03120
O4   0.08780   0.00989   0.43555   0.03480
OW5   0.13620   0.55724   0.31969   0.03970
OW6  -0.11414   0.75465   0.27932   0.03610
OW7  -0.11127   0.35396   0.28048   0.03020
OW8   0.08178   0.70830   0.54804   0.03740
OW9  -0.03766   0.68280   0.43755   0.04910
OW10   0.18678   0.45640   0.47797   0.04270
H51   0.16000   0.65700   0.33570   0.06000
H52   0.14900   0.46500   0.34210   0.06000
H61  -0.07800   0.84200   0.29870   0.06000
H62  -0.19540   0.77100   0.27390   0.06000
H71  -0.06900   0.25900   0.29500   0.06000
H72  -0.15900   0.38600   0.30510   0.06000
H81   0.14000   0.69400   0.57510   0.06000
H82   0.03700   0.80100   0.55230   0.06000
H91   0.00300   0.78500   0.43750   0.06000
H92  -0.11140   0.70200   0.41870   0.06000
H101   0.19900   0.38000   0.45420   0.06000
H102   0.26100   0.47600   0.49840   0.06000
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
Mg1 0.02510 0.01790 0.02320 0.00000 0.00140 0.00000
Mg2 0.02370 0.02260 0.02670 0.00050 -0.00130 -0.00220
Se 0.02295 0.01662 0.02709 0.00057 -0.00220 -0.00064
O1 0.04220 0.02660 0.05280 0.00410 -0.02460 -0.00350
O2 0.03460 0.02060 0.04540 -0.00650 -0.00480 0.00450
O3 0.03270 0.02620 0.03430 0.00770 0.00340 -0.00290
O4 0.04060 0.02970 0.03590 0.00160 0.01110 -0.00050
OW5 0.05680 0.02480 0.03140 -0.00490 -0.01380 0.00150
OW6 0.03290 0.02880 0.04630 0.00370 0.00510 -0.01100
OW7 0.03250 0.02380 0.03480 0.00190 0.00720 0.00530
OW8 0.03390 0.03160 0.04210 0.00750 -0.00970 -0.01350
OW9 0.04200 0.04330 0.05420 -0.01760 -0.01870 0.02140
OW10 0.02720 0.05590 0.04410 0.00260 0.00200 -0.01970