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 3, yellow
;
_database_code_amcsd 0019731
_chemical_compound_source 'Koktokay No. 3 granitic pegmatite, Altai Mountains, northwestern China'
_chemical_formula_sum 'Li.84 (Mn.8 Fe.2) P O4'
_cell_length_a 4.7403
_cell_length_b 10.4145
_cell_length_c 6.0795
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 300.132
_exptl_crystal_density_diffrn      3.451
_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   0.84000   0.01690
Mn2   0.97167   0.28160   0.25000   0.80000   0.00845
Fe2   0.97167   0.28160   0.25000   0.20000   0.00845
P   0.41062   0.09310   0.25000   1.00000   0.00713
O1   0.73080   0.09807   0.25000   1.00000   0.01150
O2   0.20810   0.45573   0.25000   1.00000   0.01030
O3   0.27722   0.16258   0.04900   1.00000   0.01094
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 0.01900 0.01650 0.01500 -0.00530 -0.00690 -0.00070
Mn2 0.00939 0.00782 0.00815 0.00033 0.00000 0.00000
Fe2 0.00939 0.00782 0.00815 0.00033 0.00000 0.00000
P 0.00666 0.00712 0.00762 0.00019 0.00000 0.00000
O1 0.00780 0.01400 0.01270 -0.00040 0.00000 0.00000
O2 0.01000 0.00800 0.01300 0.00090 0.00000 0.00000
O3 0.01010 0.01300 0.00980 0.00190 0.00030 0.00330