#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/19/1521930.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_1521930
loop_
_publ_author_name
'Sieke, C.'
'Schleid, T.'
_publ_section_title
;
 Sm3 Cl (Si O4)2 : ein chlorarmes Chloridorthosilicat des Samariums
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              377
_journal_page_last               378
_journal_volume                  625
_journal_year                    1999
_chemical_formula_sum            'Cl O8 Si2 Sm3'
_chemical_name_systematic        'Sm3 Cl (Si O4)2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.0174
_cell_length_b                   18.008
_cell_length_c                   6.2663
_cell_volume                     791.868
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Sieke_ZAACAB_1999_870.cif
_cod_data_source_block           Cl1O8Si2Sm3
_cod_original_cell_volume        791.8682
_cod_original_formula_sum        'Cl1 O8 Si2 Sm3'
_cod_database_code               1521930
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
O4 O-2 0.044 0.1742 0.7751 1 0.0
Sm1 Sm+3 0.02345 0.09109 0.12575 1 0.0
Sm2 Sm+3 0.30498 0.25 0.88154 1 0.0
O3 O-2 0.3461 0.1183 0.0294 1 0.0
Cl1 Cl-1 0.0548 0.25 0.2386 1 0.0
O1 O-2 0.0189 0.0311 0.7851 1 0.0
Si1 Si+4 0.0327 0.0997 0.6207 1 0.0
O2 O-2 0.203 0.0947 0.4508 1 0.0
