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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/05/2310582.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310582
loop_
_publ_author_name
'Gattow, G.'
_publ_section_title
;
 Die Kristallstruktur von N H4 Cu7 S4
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              549
_journal_page_last               553
_journal_volume                  10
_journal_year                    1957
_chemical_formula_sum            'Cu7 H4 N S4'
_chemical_name_systematic        'N H4 Cu7 S4'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.25
_cell_length_b                   10.25
_cell_length_c                   3.84
_cell_volume                     403.440
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Gattow_ACCRA9_1957_244.cif
_cod_data_source_block           H4Cu7N1S4
_cod_original_cell_volume        403.44
_cod_original_formula_sum        'H4 Cu7 N1 S4'
_cod_database_code               2310582
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+1/2,-z+1/2
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
Cu1 Cu+1 0.141 0.025 0.75 1 0.0
Cu2 Cu+1 0.226 0.198 0.35 0.75 0.0
S1 S-2 0.432 0.263 0.25 1 0.0
N1 N-3 0 0.5 0.25 1 0.0
