#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/77/9007748.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9007748
loop_
_publ_author_name
'Lemoine, P.'
'Tomas, A.'
'Vovan, T.'
'Guittard, M.'
_publ_section_title
;
 Structure du sulfure de thulium et de zinc ZnTm2S4
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              365
_journal_page_last               368
_journal_paper_doi               10.1107/S0108270189007936
_journal_volume                  46
_journal_year                    1990
_chemical_formula_structural     ZnTm2S4
_chemical_formula_sum            'S4 Tm2 Zn'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   13.308
_cell_length_b                   7.769
_cell_length_c                   6.285
_cell_formula_units_Z            4
_cell_volume                     649.805
_database_code_amcsd             0010108
_exptl_crystal_density_diffrn    5.433
_cod_original_formula_sum        'Tm2 Zn S4'
_cod_database_code               9007748
_amcsd_formula_title             ZnTm2S4
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-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_U_iso_or_equiv
Tm1 0.00000 0.00000 0.00000 0.00912
Tm2 0.26649 0.25000 0.00560 0.00798
Zn1 0.09260 0.25000 0.58590 0.01267
S1 0.09000 0.25000 0.22100 0.00798
S2 0.42970 0.25000 0.75500 0.00975
S3 0.33180 0.98710 0.25790 0.01089
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010108
