#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/51/1535190.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_1535190
loop_
_publ_author_name
'Stoewe, K.'
_publ_section_title
;
 Die Kristallstruktur von K Pr3 Te8
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              403
_journal_page_last               409
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'K Pr3 Te8'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.264
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.9058
_cell_length_b                   12.9106
_cell_length_c                   9.0018
_cell_volume                     1595.034
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Stoewe_ZAACAB_2003_925.cif
_cod_data_source_block           K1Pr3Te8
_cod_original_formula_sum        'K1 Pr3 Te8'
_cod_database_code               1535190
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
Te7 Te-2 0.58792 0.41435 0.1446 1 0.0
Te3 Te 0.1659 0.57933 0.53053 1 0.0
Te8 Te-2 0.58913 0.0798 0.14921 1 0.0
Pr2 Pr+3 0.35124 0.083969 0.09466 1 0.0
Te1 Te 0.15818 0.72148 0.28997 1 0.0
Te5 Te-1 0.16951 0.2493 0.04263 1 0.0
Te4 Te-1 0.16882 0.09733 0.29202 1 0.0
Te6 Te-2 0.41632 0.25471 0.3543 1 0.0
Te2 Te 0.16536 0.58002 0.05254 1 0.0
Pr1 Pr+3 0.34957 0.415134 0.08103 1 0.0
K1 K+1 0.03537 0.408 0.25829 1 0.0
Pr3 Pr+3 0.65506 0.250659 0.41329 1 0.0
