data_global
_chemical_name_mineral 'Pokrovskite'
loop_
_publ_author_name
'Perchiazzi N'
'Merlino S'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 18 
_journal_year 2006
_journal_page_first 787
_journal_page_last 792
_publ_section_title
;
 The malachite-rosasite group: crystal structures of glaukosphaerite and
 pokrovskite
;
_database_code_amcsd 0007185
_chemical_formula_sum 'Mg1.76 C O5 H2'
_cell_length_a 12.2396
_cell_length_b 9.3506
_cell_length_c 3.1578
_cell_angle_alpha 90
_cell_angle_beta 96.445
_cell_angle_gamma 90
_cell_volume 359.119
_exptl_crystal_density_diffrn      2.530
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
MgMe1   0.21220   0.00450   0.98300   0.88000   0.01267
MgMe2   0.39890   0.77100   0.57400   0.88000   0.01267
C   0.15030  -0.26370   0.53650   1.00000   0.07472
O1   0.14990  -0.12790   0.44480   1.00000   0.03800
O2   0.24000  -0.33770   0.53070   1.00000   0.03800
O3   0.06120  -0.32490   0.63390   1.00000   0.03800
O-H4   0.36560   0.91620   0.06200   1.00000   0.03800
O-H5   0.42940   0.62660   0.10300   1.00000   0.03800