data_9013450
_publ_section_title
;Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite
 KFe2S3 Locality: synthetic
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1867
_journal_page_last               1872
_journal_paper_doi               10.1016/j.jssc.2004.01.007
_journal_volume                  177
_journal_year                    2004
_chemical_formula_structural     CsFe2S3
_chemical_formula_sum            'Cs Fe2 S3'
_chemical_name_mineral           Pautovite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   9.5193
_cell_length_b                   11.5826
_cell_length_c                   5.4820
_cell_volume                     604.436
_exptl_crystal_density_diffrn    3.745
_cod_database_code               9013450
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
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
Cs 0.50000 0.16840 0.25000 0.01824
Fe 0.35820 0.50000 0.00000 0.00646
S1 0.50000 0.61550 0.25000 0.01900
S2 0.23020 0.39320 0.25000 0.01900
