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#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/44/1534472.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1534472
loop_
_publ_author_name
'Adolphe, C.'
'Laruelle, P.'
_publ_section_title
;
 Structure cristalline de Fe Ho4 S7 et de certains composes isotypes
;
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 
(72,1949-100,1977)
;
_journal_page_first              219
_journal_page_last               232
_journal_volume                  91
_journal_year                    1968
_chemical_formula_sum            'Fe Ho4 S7'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.7
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.57
_cell_length_b                   3.78
_cell_length_c                   11.35
_cell_volume                     519.171
_citation_journal_id_ASTM        BUFCAE
_cod_data_source_file            Adolphe_BUFCAE_1968_729.cif
_cod_data_source_block           Fe1Ho4S7
_cod_original_cell_volume        519.1707
_cod_original_formula_sum        'Fe1 Ho4 S7'
_cod_database_code               1534472
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Fe1 Fe 0 0 0 0.3 0.0
Ho1 Ho 0 0 0 0.7 0.0
S2 S 0.4647 0.5 0.2164 1 0.0
Fe2 Fe 0.1137 0 0.4239 0.35 0.0
S4 S 0 0.5 0.5 1 0.0
Ho2 Ho 0.3066 0 0.1957 1 0.0
S3 S 0.2416 0.5 0.3567 1 0.0
S1 S 0.1612 0.5 0.0524 1 0.0
Ho3 Ho 0.1137 0 0.4239 0.65 0.0
