data_global
_chemical_name_mineral 'Lithiophilite'
loop_
_publ_author_name
'Hatert F'
'Ottolini L'
'Wouters J'
'Fontan F'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 50 
_journal_year 2012
_journal_page_first 843
_journal_page_last 854
_publ_section_title
;
 A structural study of the lithiophilite-sicklerite series
 Sample 2, light yellow
;
_database_code_amcsd 0019730
_chemical_compound_source 'Koktokay No. 3 granitic pegmatite, Altai Mountains, northwestern China'
_chemical_formula_sum 'Li.86 Mn.8 Fe.183 P O4'
_cell_length_a 4.7340
_cell_length_b 10.423
_cell_length_c 6.0940
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 300.693
_exptl_crystal_density_diffrn      3.426
_symmetry_space_group_name_H-M 'P b n m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '1/2-x,1/2+y,1/2-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_occupancy
_atom_site_U_iso_or_equiv
Li1   0.00000   0.00000   0.00000   0.86000   0.01410
Mn2   0.97198   0.28175   0.25000   0.80000   0.00810
Fe2   0.97198   0.28175   0.25000   0.18300   0.00810
P   0.41030   0.09283   0.25000   1.00000   0.00756
O1   0.73180   0.09712   0.25000   1.00000   0.01140
O2   0.21060   0.45591   0.25000   1.00000   0.01010
O3   0.27840   0.16211   0.04900   1.00000   0.01030
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 0.01500 0.01600 0.01100 -0.00590 -0.00620 -0.00080
Mn2 0.00910 0.00719 0.00800 0.00057 0.00000 0.00000
Fe2 0.00910 0.00719 0.00800 0.00057 0.00000 0.00000
P 0.00710 0.00740 0.00810 0.00020 0.00000 0.00000
O1 0.00760 0.01230 0.01430 -0.00010 0.00000 0.00000
O2 0.00900 0.00790 0.01340 0.00150 0.00000 0.00000
O3 0.00930 0.01260 0.00890 0.00170 -0.00010 0.00280