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 5, deep orange
;
_database_code_amcsd 0019733
_chemical_compound_source 'Koktokay No. 3 granitic pegmatite, Altai Mountains, northwestern China'
_chemical_formula_sum 'Li.748 Mn.8 Fe.195 P O4'
_cell_length_a 4.7651
_cell_length_b 10.3379
_cell_length_c 6.0595
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 298.498
_exptl_crystal_density_diffrn      3.449
_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   0.74800   0.02200
Mn2   0.97002   0.28118   0.25000   0.80000   0.00931
Fe2   0.97002   0.28118   0.25000   0.19500   0.00931
P   0.41101   0.09406   0.25000   1.00000   0.00849
O1   0.72920   0.10211   0.25000   1.00000   0.01500
O2   0.20010   0.45515   0.25000   1.00000   0.01360
O3   0.27588   0.16404   0.04920   1.00000   0.01422
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 0.01900 0.02700 -0.00740 -0.00960 -0.00190
Mn2 0.00996 0.00909 0.00887 -0.00036 0.00000 0.00000
Fe2 0.00996 0.00909 0.00887 -0.00036 0.00000 0.00000
P 0.00722 0.00933 0.00893 0.00000 0.00000 0.00000
O1 0.00860 0.02060 0.01570 -0.00060 0.00000 0.00000
O2 0.01520 0.01090 0.01470 0.00040 0.00000 0.00000
O3 0.01210 0.01750 0.01310 0.00180 -0.00060 0.00470