data_9004118
_chemical_name '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
;
_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
_symmetry_space_group_name_H-M 'P b c a'
loop_
_symmetry_equiv_pos_as_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