data_global
_chemical_name_mineral 'Enstatite'
loop_
_publ_author_name
'Camara F'
'Iezzi G'
'Tiepolo M'
'Oberti R'
_journal_name_full 'Physics and Chemistry of Minerals'
_journal_volume 33 
_journal_year 2006
_journal_page_first 475
_journal_page_last 483
_publ_section_title
;
 The crstal chemistry of lithium and Fe3+ in synthetic orthopyroxene
 Sample: LMFPX3
;
_database_code_amcsd 0009041
_chemical_formula_sum 'Mg1.33 Fe.47 Li.2 Si2 O6'
_cell_length_a 18.2113
_cell_length_b 8.8172
_cell_length_c 5.2050
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 835.781
_exptl_crystal_density_diffrn      3.372
_symmetry_space_group_name_H-M 'P b c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  '1/2+x,1/2-y,-z'
  '1/2+x,y,1/2-z'
  '1/2-x,-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
MgM1   0.37540   0.65100   0.87450   0.74000   0.00798
Fe3+M1   0.37540   0.65100   0.87450   0.20000   0.00798
Fe2+M1   0.37540   0.65100   0.87450   0.06000   0.00798
MgM2   0.37750   0.48460   0.36650   0.59000   0.00874
Fe2+M2   0.37750   0.48460   0.36650   0.21000   0.00874
LiM2   0.37750   0.48460   0.36650   0.20000   0.00874
Sia   0.27220   0.34060   0.05400   1.00000   0.00557
Sib   0.47400   0.33710   0.79420   1.00000   0.00570
O1a   0.18360   0.33750   0.04420   1.00000   0.00760
O1b   0.56300   0.33750   0.79600   1.00000   0.00760
O2a   0.31040   0.50320   0.05020   1.00000   0.00912
O2b   0.43420   0.48710   0.69730   1.00000   0.00937
O3a   0.30330   0.22810  -0.17140   1.00000   0.00887
O3b   0.44740   0.20170   0.59200   1.00000   0.00925