data_global
_amcsd_formula_title '(Li.85Mg.09Fe.06)(Fe.85Mg.15)Si2O6'
loop_
_publ_author_name
'Camara F'
'Iezzi G'
'Oberti R'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 30 
_journal_year 2003
_journal_page_first 20
_journal_page_last 30
_publ_section_title
;
 HT-XRD study of synthetic ferrian magnesian spodumene: the effect of
 site dimension on the P2_1/c - C2/c phase transition
 Sample: T = 125 C
;
_database_code_amcsd 0008743
_chemical_formula_sum 'Li.85 Mg.24 Fe.91 Si2 O6'
_cell_length_a 9.694
_cell_length_b 8.690
_cell_length_c 5.293
_cell_angle_alpha 90
_cell_angle_beta 110.23
_cell_angle_gamma 90
_cell_volume 418.381
_exptl_crystal_density_diffrn      3.409
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-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
LiM2   0.00000   0.26640   0.25000   0.85000   0.01800
MgM2   0.00000   0.26640   0.25000   0.09000   0.01800
FeM2   0.00000   0.26640   0.25000   0.06000   0.01800
FeM1   0.00000   0.89850   0.25000   0.85000   0.00600
MgM1   0.00000   0.89850   0.25000   0.15000   0.00600
SiA   0.29610   0.08960   0.26690   1.00000   0.00600
O1A   0.11700   0.08590   0.15030   1.00000   0.00800
O2A   0.36850   0.25620   0.33030   1.00000   0.01300
O3A   0.35520  -0.00110   0.05560   1.00000   0.01600