data_9009878
_chemical_name 'Ludlamite'
loop_
_publ_author_name
'Abrahams S C'
_journal_name_full "Journal of Chemical Physics"
_journal_volume 44
_journal_year 1966
_journal_page_first 2230
_journal_page_last 2237
_publ_section_title
;
 Ferromagnetic and crystal structure of ludlamite, Fe3(PO4)2*4(H2O), at 4.2 K
 Sample: T = 4.2 K
;
_chemical_formula_sum 'Fe3 P2 O12 H8'
_cell_length_a 10.541
_cell_length_b 4.638
_cell_length_c 9.285
_cell_angle_alpha 90
_cell_angle_beta 100.728
_cell_angle_gamma 90
_cell_volume 446.002
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
Fe1   0.00000   0.00000   0.00000   0.00228
Fe2   0.17270   0.07290   0.32870   0.00329
P   0.45240   0.97240   0.23720   0.00380
O1   0.03530   0.78370   0.20030   0.00811
O2   0.40860   0.15440   0.09890   0.00494
O3   0.33240   0.85150   0.29190   0.00418
O4   0.03440   0.35510   0.35960   0.00887
O5   0.17020   0.24120   0.09920   0.00494
O6   0.32650   0.38460   0.45390   0.00481
H1   0.14290   0.43210   0.06390   0.02862
H2   0.26500   0.20350   0.09180   0.02026
H3   0.33040   0.56760   0.39530   0.01798
H4   0.40640   0.27800   0.44430   0.01684