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#$Date: 2016-01-01 14:48:53 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172436 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/11/1541175.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_1541175
loop_
_publ_author_name
'Rodier, N.'
'Laruelle, P.'
_publ_section_title
;
 Sur un nouveau sulfure mixte d'erbium et de scandium de formule Sc2 Er3
 S7
;
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 
(72,1949-100,1977)
;
_journal_page_first              548
_journal_page_last               552
_journal_volume                  95
_journal_year                    1972
_chemical_formula_sum            'Er3 S7 Sc2'
_chemical_name_systematic        'Sc2 Er3 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                 104.9
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   12.29
_cell_length_b                   3.741
_cell_length_c                   11.26
_cell_volume                     500.293
_citation_journal_id_ASTM        BUFCAE
_cod_data_source_file            Rodier_BUFCAE_1972_1770.cif
_cod_data_source_block           Er3S7Sc2
_cod_original_cell_volume        500.2927
_cod_database_code               1541175
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
S3 S-2 0.261 0 0.645 1 0.0
S4 S-2 0.5 0 0.5 1 0.0
S1 S-2 0.345 0 0.95 1 0.0
Er1 Er+2 0 0 0 0.333 0.0
Sc2 Sc+2 0.1147 0 0.4254 0.667 0.0
Er2 Er+2 0.1147 0 0.4254 0.333 0.0
Er3 Er+2 0.3077 0 0.1985 1 0.0
Sc1 Sc+2 0 0 0 0.667 0.0
S2 S-2 0.033 0 0.785 1 0.0