#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/97/1529796.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_1529796
loop_
_publ_author_name
'Degtyarev, P.A.'
'Kovba, L.M.'
'Pokrovskii, A.N.'
_publ_section_title
;
 Crystal structure of the anhydrous double sulfate K Pr (S O4)2
;
_journal_name_full               Kristallografiya
_journal_page_first              840
_journal_page_last               843
_journal_volume                  23
_journal_year                    1978
_chemical_formula_sum            'K O8 Pr S2'
_chemical_name_systematic        'K Pr (S O4)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.27
_cell_angle_beta                 93.51
_cell_angle_gamma                88.33
_cell_formula_units_Z            2
_cell_length_a                   6.94
_cell_length_b                   5.39
_cell_length_c                   8.47
_cell_volume                     316.039
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Degtyarev_KRISAJ_1978_428.cif
_cod_data_source_block           K1O8Pr1S2
_cod_original_cell_volume        316.0393
_cod_original_formula_sum        'K1 O8 Pr1 S2'
_cod_database_code               1529796
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
S2 S+6 0.3014 0.2785 0.0466 1 0.0
O8 O-2 0.449 0.286 0.177 1 0.0
O7 O-2 0.378 0.168 0.905 1 0.0
O6 O-2 0.286 0.479 0.602 1 0.0
K1 K+1 0.6548 0.2474 0.6867 1 0.0
S1 S+6 0.1753 0.2581 0.5686 1 0.0
O5 O-2 0.14 0.123 0.089 1 0.0
O3 O-2 0.308 0.037 0.579 1 0.0
O2 O-2 0.227 0.533 0.016 1 0.0
O1 O-2 0.042 0.23 0.696 1 0.0
Pr1 Pr+3 0.8185 0.1894 0.2039 1 0.0
O4 O-2 0.077 0.271 0.412 1 0.0
