data_9000917
_publ_section_title
;
 The crystal structure of high clinoferrosilicate
 T = 1050 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              264
_journal_page_last               269
_journal_volume                  69
_journal_year                    1984
_chemical_formula_sum            'Fe O3 Si'
_chemical_name_mineral           Clinoferrosilite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.20
_cell_angle_gamma                90
_cell_length_a                   9.928
_cell_length_b                   9.179
_cell_length_c                   5.338
_cell_volume                     456.527
_diffrn_ambient_temperature      1323.15
_exptl_crystal_density_diffrn    3.839
_[local]_cod_chemical_formula_sum_orig 'Fe Si O3'
_cod_database_code               9000917
loop_
_symmetry_equiv_pos_as_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_U_iso_or_equiv
Fe1 0.00000 0.90140 0.25000 0.02571
Fe2 0.00000 0.26250 0.25000 0.03597
Si 0.29620 0.08520 0.27080 0.02406
O1 0.12410 0.09030 0.15870 0.04154
O2 0.37470 0.23980 0.36160 0.02824
O3 0.35890 0.01340 0.04450 0.03040
