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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/2/10/70/2107057.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_2107057
loop_
_publ_author_name
'Abrahams, S.C.'
'Ihringer, J.'
'Marsh, P.'
_publ_section_title
;
 Structural and thermal dependence of normal-mode condensations in K2 Te
 Br6
;
_journal_name_full               'Acta Crystallographica B (39,1983-)'
_journal_page_first              26
_journal_page_last               34
_journal_volume                  45
_journal_year                    1989
_chemical_formula_sum            'Br6 K2 Te'
_chemical_name_systematic        'K2 (Te Br6)'
_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                 90.307
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.4908
_cell_length_b                   7.5492
_cell_length_c                   10.6984
_cell_volume                     604.981
_citation_journal_id_ASTM        ASBSDK
_cod_data_source_file            Abrahams_ASBSDK_1989_1775.cif
_cod_data_source_block           Br6K2Te1
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Br6 K2 Te1'
_cod_database_code               2107057
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
K1 K+1 -0.0099 0.4607 0.2553 1 0.0
Br3 Br-1 0.2087 0.2872 -0.0216 1 0.0
Br1 Br-1 0.0476 0.002 0.2484 1 0.0
Te1 Te+4 0 0 0 1 0.0
Br2 Br-1 0.2842 -0.2111 -0.0234 1 0.0
