data_global
_chemical_name_mineral 'Metavauxite'
loop_
_publ_author_name
'Baur W H'
'Rao B R'
_journal_name_full 'Die Naturwissenschaften'
_journal_volume 54 
_journal_year 1967
_journal_page_first 561
_journal_page_last 561
_publ_section_title
;
 The crystal structure of metavauxite
;
_database_code_amcsd 0012432
_chemical_formula_sum 'Fe Al2 P2 O18 H18'
_cell_length_a 10.22
_cell_length_b 9.56
_cell_length_c 6.94
_cell_angle_alpha 90
_cell_angle_beta 97.9
_cell_angle_gamma 90
_cell_volume 671.625
_exptl_crystal_density_diffrn      2.363
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Fe   0.00000   0.00000   0.00000   0.01520
Al   0.51100   0.25400   0.12900   0.00887
P   0.32800   0.53800   0.07400   0.01140
O1   0.39300   0.40000   0.02700   0.00887
O2   0.38800   0.59800   0.27000   0.01267
O3   0.33800   0.64200   0.91000   0.01140
O4   0.18000   0.50700   0.07800   0.01140
O-H5   0.50700   0.32300   0.37900   0.01013
Wat6   0.35700   0.13800   0.15000   0.01393
Wat7   0.03200   0.10200   0.28600   0.01773
Wat8   0.12300   0.35500   0.37900   0.01520
Wat9   0.83000   0.36500   0.42800   0.02153