#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon 06 de May de 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/99/9009933.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_9009933
loop_
_publ_author_name
'Allmann, R.'
'Baumann, I.'
'Kutoglu, A.'
'Rosch, H.'
'Hellner, E.'
_publ_section_title
;
 Die kristallstruktur des patronits V(S2)2
 Locality: Minasraga, Peru
;
_journal_name_full               Naturwissenschaften
_journal_page_first              263
_journal_page_last               264
_journal_volume                  51
_journal_year                    1964
_chemical_formula_sum            'S4 V'
_chemical_name_mineral           Patronite
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.8
_cell_angle_gamma                90
_cell_length_a                   6.78
_cell_length_b                   10.42
_cell_length_c                   12.11
_cell_formula_units_Z            8
_cell_volume                     840.388
_exptl_crystal_density_diffrn    2.833
_cod_original_formula_sum        'V S4'
_cod_database_code               9009933
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,1/2+z
x,-y,1/2+z
1/2+x,1/2-y,+z
-x,y,1/2-z
1/2-x,1/2+y,-z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
V 0.00000 0.00100 0.11700 0.00887
S1 0.76300 0.09800 0.21800 0.01267
S2 0.76300 0.09600 0.23400 0.01393
S3 0.27800 0.05000 0.02800 0.01267
S4 0.05300 0.18300 0.00400 0.01267
