data_global
_chemical_name_mineral 'Alfredopetrovite'
loop_
_publ_author_name
'Kampf A R'
'Mills S J'
'Nash B P'
'Thorne B'
'Favreau G'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 28 
_journal_year 2016
_journal_page_first 479
_journal_page_last 484
_publ_section_title
;
 Alfredopetrovite, a new selenite mineral from the El Dragon mine, Bolivia
;
_database_code_amcsd 0021055
_chemical_compound_source 'Type sample from El Dragon mine, Bolivia'
_chemical_formula_sum 'Al2 Se3 O15 H12'
_cell_length_a 8.808
_cell_length_b 8.818
_cell_length_c 10.721
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 721.130
_exptl_crystal_density_diffrn      2.500
_symmetry_space_group_name_H-M 'P -6 2 c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  '-x+y,-x,1/2-z'
  'y,x,-z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  'x,y,1/2-z'
  '-x,-x+y,-z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  '-y,x-y,1/2-z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Al   0.33330   0.66670   0.53310   0.02230
Se   0.61798   0.74258   0.75000   0.02590
OW1   0.31480   0.48200   0.42780   0.03000
H1   0.39000   0.45700   0.40100   0.03600
H2   0.24000   0.43900   0.37300   0.03600
O2   0.48660   0.62100   0.62740   0.02600
O3   0.76670   0.67720   0.75000   0.03300
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
Al 0.02100 0.02100 0.02400 0.01060 0.00000 0.00000
Se 0.02600 0.02920 0.02250 0.01380 0.00000 0.00000
OW1 0.03500 0.03700 0.02700 0.02500 -0.01200 -0.01700
O2 0.03200 0.03100 0.01600 0.01700 -0.00900 -0.00700
O3 0.02700 0.05400 0.03100 0.03000 0.00000 0.00000