#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/52/1525208.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_1525208
loop_
_publ_author_name
'Schaefer, W.'
'Nitsche, R.'
'Scheunemann, K.'
_publ_section_title
;
 Crystal structure and magnetic properties of Cu4 Ni Si2 S7
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              933
_journal_page_last               937
_journal_volume                  15
_journal_year                    1980
_chemical_formula_sum            'Cu4 Ni S7 Si2'
_chemical_name_systematic        'Cu4 Ni Si2 S7'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.72
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.551
_cell_length_b                   5.313
_cell_length_c                   8.165
_cell_volume                     495.298
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Schaefer_MRBUAC_1980_473.cif
_cod_data_source_block           Cu4Ni1S7Si2
_cod_original_cell_volume        495.2978
_cod_original_formula_sum        'Cu4 Ni1 S7 Si2'
_cod_database_code               1525208
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-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
Cu2 Cu+1 0.21 0.506 0.1395 1 0.0
Ni1 Ni+2 0 0 0 1 0.0
Cu1 Cu+1 0.1409 0.019 0.436 1 0.0
Si1 Si+4 0.4255 0.995 0.2843 1 0.0
S3 S-2 0.2861 0.776 0.3497 1 0.0
S2 S-2 0.0627 0.263 0.2174 1 0.0
S4 S-2 0.362 0.243 0.0893 1 0.0
S1 S-2 0 0.721 0.5 1 0.0
