#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/92/1539205.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_1539205
loop_
_publ_author_name
'Schleid, T.'
'Meyer, G.'
_publ_section_title
;
 Divalent samarium: Synthesis and crystal structures of Sm4 O Cl6 and K
 Sm2 Cl5
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              231
_journal_page_last               238
_journal_volume                  553
_journal_year                    1987
_chemical_formula_sum            'Cl5 K Sm2'
_chemical_name_systematic        'K Sm2 Cl5'
_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                 90.09
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.884
_cell_length_b                   7.856
_cell_length_c                   12.632
_cell_volume                     881.620
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Schleid_ZAACAB_1987_1868.cif
_cod_data_source_block           Cl5K1Sm2
_cod_original_cell_volume        881.6203
_cod_original_formula_sum        'Cl5 K1 Sm2'
_cod_database_code               1539205
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
Cl1 Cl-1 0.9609 0.1611 0.599 1 0.0
Cl2 Cl-1 0.2196 0.0463 0.0025 1 0.0
Sm2 Sm+2 0.25131 0.43063 0.00705 1 0.0
K1 K+1 0.509 0.0471 0.8315 1 0.0
Cl4 Cl-1 0.232 0.3061 0.7824 1 0.0
Cl3 Cl-1 0.5374 0.1718 0.5877 1 0.0
Sm1 Sm+2 0.00085 0.02383 0.82318 1 0.0
Cl5 Cl-1 0.7819 0.3309 0.8158 1 0.0
