data_9009706
_chemical_name 'Anapaite'
loop_
_publ_author_name
'Catti M'
'Ferraris G'
'Ivaldi G'
_journal_name_full "Bulletin de Mineralogie"
_journal_volume 102
_journal_year 1979
_journal_page_first 314
_journal_page_last 8
_publ_section_title
;
 Refinement of the crystal structure of anapaite, Ca2Fe(PO4)2*4H2O:
 hydrogen bonding and relationships with the bihydrated phase
;
_chemical_formula_sum 'Ca2 Fe P2 O12 H8'
_cell_length_a 6.447
_cell_length_b 6.816
_cell_length_c 5.898
_cell_angle_alpha 101.64
_cell_angle_beta 104.24
_cell_angle_gamma 70.76
_cell_volume 235.108
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,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
Ca   0.34280   0.20937   0.70749 ?
Fe   0.00000   0.00000   0.00000 ?
P   0.43302   0.71811   0.77170 ?
O1   0.68060   0.62550   0.88440 ?
O2   0.31210   0.55140   0.67890 ?
O3   0.32740   0.87450   0.97420 ?
O4   0.40820   0.84670   0.57390 ?
Ow1   0.09810   0.21960   0.30980 ?
Ow2  -0.04980   0.23510  -0.23560 ?
H1  -0.02200   0.31700   0.33000   0.05193
H2   0.17700   0.26300   0.23900   0.07219
H3  -0.13700   0.19200  -0.35500   0.03800
H4  -0.14000   0.35200  -0.18700   0.05953