#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/69/1526908.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_1526908
loop_
_publ_author_name
'Wada, H.'
'Nozaki, H.'
'Sato, A.'
_publ_section_title
;
 Preparation and crystal structures of Cu2 Hf S3
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              217
_journal_page_last               221
_journal_volume                  317
_journal_year                    2001
_chemical_formula_sum            'Cu2 Hf S3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.05
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.611
_cell_length_b                   6.444
_cell_length_c                   7.127
_cell_volume                     437.049
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Wada_JALCEU_2001_1209.cif
_cod_data_source_block           Cu2Hf1S3
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Cu2 Hf1 S3'
_cod_database_code               1526908
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-y-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
Cu3 Cu+1 0.207 0.639 0.523 0.69 0.0
Hf2 Hf+4 0.339 0.006 0.328 0.75 0.0
Cu2 Cu+1 0.505 0.262 0.976 0.92 0.0
S1 S-2 0.25 0.853 0.054 1 0.0
S3 S-2 0.929 0.335 0.18 1 0.0
Hf1 Hf+4 0 0 0 0.5 0.0
S2 S-2 0.404 0.845 0.729 1 0.0
Cu1 Cu+1 0.575 0.48 0.302 0.39 0.0
