data_global
_chemical_name_mineral 'Sicklerite'
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 4, orange
;
_database_code_amcsd 0019732
_chemical_compound_source 'Koktokay No. 3 granitic pegmatite, Altai Mountains, northwestern China'
_chemical_formula_sum 'Li.76 Mn.8 Fe.18 P O4'
_cell_length_a 4.7670
_cell_length_b 10.403
_cell_length_c 6.0720
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 301.117
_exptl_crystal_density_diffrn      3.402
_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   0.76000   0.01900
Mn2   0.97049   0.28133   0.25000   0.80000   0.00794
Fe2   0.97049   0.28133   0.25000   0.18000   0.00794
P   0.41078   0.09375   0.25000   1.00000   0.00790
O1   0.72990   0.10070   0.25000   1.00000   0.01370
O2   0.20300   0.45549   0.25000   1.00000   0.01260
O3   0.27630   0.16366   0.04970   1.00000   0.01310
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 0.02000 0.01600 0.02100 -0.00900 -0.01100 0.00000
Mn2 0.00860 0.00750 0.00770 -0.00003 0.00000 0.00000
Fe2 0.00860 0.00750 0.00770 -0.00003 0.00000 0.00000
P 0.00630 0.00850 0.00890 0.00000 0.00000 0.00000
O1 0.00680 0.01840 0.01580 -0.00100 0.00000 0.00000
O2 0.01260 0.00990 0.01530 0.00020 0.00000 0.00000
O3 0.01030 0.01680 0.01210 0.00230 -0.00120 0.00360