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#$Date: 2010-04-10 22:13:22 +0300 (Sat, 10 Apr 2010) $
#$Revision: 1075 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2101404.cif $
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#
# 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_2101404
loop_
_publ_author_name
'Boucher, F.'
'Evain, M.'
'Brec, R.'
_publ_section_title
;
 Phase transition upon <i>d</i>^10^ Cd^2+^ ordering in CdPS~3~
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              952
_journal_page_last               961
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'Cd P S3'
_[local]_cod_chemical_formula_sum_orig 'Cd1 P1 S3'
_chemical_formula_weight         239.6
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3'
_symmetry_space_group_name_H-M   'R 3 :H'
_[local]_cod_cif_authors_sg_H-M  'R 3 {hexagonal axes}'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                120.0
_cell_formula_units_Z            6
_cell_length_a                   6.224(3)
_cell_length_b                   6.224(3)
_cell_length_c                   19.490(10)
_cell_volume                     654.0(10)
_diffrn_radiation_type           Mo
_diffrn_radiation_wavelength     0.71073
_exptl_absorpt_coefficient_mu    6.531
_exptl_crystal_density_diffrn    3.649
_[local]_cod_data_source_file    du0398.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Cd1 .0 .0 .32910(10)
Cd2 .3333 .6667 .33798(5)
P1 .6667 .3333 .39000(10)
P2 .6667 .3333 .27570(10)
S1 .3450(3) .3214(3) .4201(2)
S2 -.0168(3) .3422(3) .2471(2)
_cod_database_code 2101404