data_9007451
_chemical_name 'Scorzalite'
loop_
_publ_author_name
'Lindberg M L'
'Christ C L'
_journal_name_full "Acta Crystallographica"
_journal_volume 12
_journal_year 1959
_journal_page_first 695
_journal_page_last 697
_publ_section_title
;
 Crystal structures of the isostructural minerals lazulite,
 scorzalite and barbosalite
;
_chemical_formula_sum 'Fe Al2 P2 O10 H2'
_cell_length_a 7.15
_cell_length_b 7.31
_cell_length_c 7.25
_cell_angle_alpha 90
_cell_angle_beta 120.58
_cell_angle_gamma 90
_cell_volume 326.230
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
Fe   0.00000   0.00000   0.00000   0.00823
Al   0.73200   0.26700   0.00400   0.00823
P   0.24900   0.11100   0.74700   0.00823
O1   0.21900   0.00000   0.90500   0.00823
O2   0.29100   0.00000   0.58900   0.00823
O3   0.04600   0.25400   0.12900   0.00823
O4   0.43200   0.25100   0.36600   0.00823
O-H5   0.74600   0.13000   0.74700   0.00823