data_global
_chemical_name_mineral 'Enstatite'
loop_
_publ_author_name
'Hawthorne F C'
'Ito J'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 15 
_journal_year 1977
_journal_page_first 321
_journal_page_last 338
_publ_section_title
;
 Synthesis and crystal-structure refinement of transition-metal
 orthopyroxenes I: Orthoenstatite and (Mg, Mn, Co) orthopyroxene
;
_database_code_amcsd 0005140
_chemical_formula_sum 'Si (Mg.781 Co.132 Mn.087) O3'
_cell_length_a 18.246
_cell_length_b 8.839
_cell_length_c 5.196
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 837.992
_exptl_crystal_density_diffrn      3.412
_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
SiA   0.27165   0.34110   0.05160   1.00000
SiB   0.47381   0.33710   0.79600   1.00000
MgM1   0.37562   0.65410   0.87040   0.90400
CoM1   0.37562   0.65410   0.87040   0.06500
MnM1   0.37562   0.65410   0.87040   0.03100
MgM2   0.37712   0.48510   0.36360   0.65800
CoM2   0.37712   0.48510   0.36360   0.19800
MnM2   0.37712   0.48510   0.36360   0.14400
O1A   0.18370   0.33900   0.03960   1.00000
O2A   0.31060   0.50190   0.04680   1.00000
O3A   0.30330   0.22610  -0.17140   1.00000
O1B   0.56230   0.33940   0.79750   1.00000
O2B   0.43370   0.48460   0.69350   1.00000
O3B   0.44740   0.19850   0.59800   1.00000
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
SiA 0.00658 0.00594 0.00503 -0.00049 0.00043 -0.00021
SiB 0.00658 0.00582 0.00494 0.00033 -0.00106 -0.00016
MgM1 0.00624 0.00503 0.00479 -0.00033 -0.00072 0.00019
CoM1 0.00624 0.00503 0.00479 -0.00033 -0.00072 0.00019
MnM1 0.00624 0.00503 0.00479 -0.00033 -0.00072 0.00019
MgM2 0.00961 0.00942 0.00559 -0.00082 -0.00202 0.00037
CoM2 0.00961 0.00942 0.00559 -0.00082 -0.00202 0.00037
MnM2 0.00961 0.00942 0.00559 -0.00082 -0.00202 0.00037
O1A 0.00489 0.01061 0.00707 0.00008 0.00034 -0.00030
O2A 0.01130 0.00776 0.00737 -0.00261 -0.00038 0.00098
O3A 0.00911 0.01108 0.00696 0.00025 0.00000 -0.00363
O1B 0.00793 0.00792 0.00681 -0.00139 0.00058 0.00140
O2B 0.01130 0.00823 0.00603 0.00261 -0.00048 0.00142
O3B 0.00725 0.01092 0.00639 -0.00057 0.00034 -0.00328