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 = 75 C
;
_database_code_amcsd 0008741
_chemical_formula_sum 'Li.85 Mg.24 Fe.91 Si2 O6'
_cell_length_a 9.651
_cell_length_b 8.706
_cell_length_c 5.270
_cell_angle_alpha 90
_cell_angle_beta 109.95
_cell_angle_gamma 90
_cell_volume 416.222
_exptl_crystal_density_diffrn      3.427
_symmetry_space_group_name_H-M 'P 1 21/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-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
LiM2   0.25120   0.01480   0.23370   0.85000   0.01400
MgM2   0.25120   0.01480   0.23370   0.09000   0.01400
FeM2   0.25120   0.01480   0.23370   0.06000   0.01400
FeM1   0.25000   0.64810   0.23670   0.85000   0.00400
MgM1   0.25000   0.64810   0.23670   0.15000   0.00400
SiA   0.04670   0.33920   0.27710   1.00000   0.00400
SiB   0.54810   0.83900   0.25350   1.00000   0.00400
O1A   0.86720   0.33400   0.16290   1.00000   0.00500
O1B   0.36820   0.83580   0.13720   1.00000   0.00600
O2A   0.11760   0.50790   0.31840   1.00000   0.00900
O2B   0.62200   0.00180   0.35180   1.00000   0.00900
O3A   0.10770   0.26430   0.58190   1.00000   0.00800
O3B   0.60460   0.72710   0.51610   1.00000   0.01100