data_global
_chemical_name_mineral 'Tavorite'
loop_
_publ_author_name
'Yakubovich O V'
'Urusov V S'
_journal_name_full 'Geochemistry International'
_journal_volume 35 
_journal_year 1997
_journal_page_first 630
_journal_page_last 638
_publ_section_title
;
 The structure and electron density of Fe2+ -bearing tavorite in relation to the
 genetic crystal chemistry of secondary phosphates of lithium pegmatites
;
_database_code_amcsd 0012660
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Li Fe P O5 H'
_cell_length_a 5.347
_cell_length_b 7.284
_cell_length_c 5.132
_cell_angle_alpha 109.15
_cell_angle_beta 97.90
_cell_angle_gamma 106.52
_cell_volume 175.051
_exptl_crystal_density_diffrn      1.658
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_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_occupancy
_atom_site_U_iso_or_equiv
Li1   0.60710   0.18200   0.25400   0.38500   0.01773
Li2   0.63100   0.29500   0.27800   0.11500   0.01520
Fe1   0.00000   0.50000   0.00000   0.33333   0.00570
Fe2   0.00000   0.00000   0.00000   0.33333   0.00507
Fe3   0.00000   0.50000   0.50000   0.33333   0.00380
P   0.63897   0.76670   0.32444   0.50000   0.00519
O1   0.65990   0.87800   0.11420   0.50000   0.00874
O2   0.34130   0.66000   0.31070   0.50000   0.00899
O3   0.94780   0.27430   0.15210   0.50000   0.00912
O4   0.78790   0.61220   0.26620   0.50000   0.01077
O5   0.24240   0.07110   0.36750   0.50000   0.00925
H   0.04000   0.27000   0.32000   0.50000   0.02660
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Li1 0.01139 0.03925 0.01013 0.01139 0.01140 0.00506
Fe1 0.00456 0.00544 0.00670 0.00176 0.00214 0.00101
Fe2 0.00519 0.00532 0.00455 0.00163 0.00202 0.00089
P 0.00468 0.00670 0.00430 0.00189 0.00214 0.00139
O1 0.00810 0.01252 0.00734 0.00278 0.00632 0.00278
O2 0.00493 0.01126 0.00873 0.00076 0.00328 0.00139
O3 0.00975 0.00721 0.01165 0.00367 0.00456 0.00353
O4 0.01203 0.01328 0.01165 0.00886 0.00595 0.00569
O5 0.00962 0.01076 0.00493 0.00315 0.00126 -0.00037