#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/22/2002263.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_2002263
loop_
_publ_author_name
'Schulze, A R'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Darstellung und Untersuchung der metastabilen Verbindung Sr3 La4 O9
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              59
_journal_page_last               63
_journal_paper_doi               10.1002/zaac.19804710106
_journal_volume                  471
_journal_year                    1980
_chemical_formula_structural     'Sr3 La4 O9'
_chemical_formula_sum            'La4 O9 Sr3'
_chemical_name_systematic        'Tristrontium tetralanthanum oxide'
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.6
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.657
_cell_length_b                   7.34
_cell_length_c                   13.471
_cell_volume                     1039.5
_refine_ls_R_factor_all          0.067
_cod_database_code               2002263
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2+x,1/2-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Sr1 Sr2+ 4 a 0.7958 0.0847 0. 0.4286 0 d
La1 La3+ 4 a 0.7958 0.0847 0. 0.5714 0 d
Sr2 Sr2+ 4 a 0.62 0.8071 0.2218 0.4286 0 d
La2 La3+ 4 a 0.62 0.8071 0.2218 0.5714 0 d
Sr3 Sr2+ 4 a 0.8757 0.1387 0.2892 0.4286 0 d
La3 La3+ 4 a 0.8757 0.1387 0.2892 0.5714 0 d
Sr4 Sr2+ 4 a 0.8806 0.3357 0.6693 0.4286 0 d
La4 La3+ 4 a 0.8806 0.3357 0.6693 0.5714 0 d
Sr5 Sr2+ 4 a 0.6709 0.6115 0.8802 0.4286 0 d
La5 La3+ 4 a 0.6709 0.6115 0.8802 0.5714 0 d
Sr6 Sr2+ 4 a 0.1041 0.8747 0.0847 0.4286 0 d
La6 La3+ 4 a 0.1041 0.8747 0.0847 0.5714 0 d
Sr7 Sr2+ 4 a 0.9827 0.4429 0.9476 0.4286 0 d
La7 La3+ 4 a 0.9827 0.4429 0.9476 0.5714 0 d
O1 O2- 4 a 0.145 0.184 0.052 1. 0 d
O2 O2- 4 a 0.397 0.126 0.585 1. 0 d
O3 O2- 4 a 0.352 0.336 0.347 1. 0 d
O4 O2- 4 a 0.104 0.196 0.407 1. 0 d
O5 O2- 4 a 0.187 0.572 0.13 1. 0 d
O6 O2- 4 a 0.288 0.95 0.269 1. 0 d
O7 O2- 4 a 0.099 0.585 0.331 1. 0 d
O8 O2- 4 a 0.494 0.488 0.196 1. 0 d
O9 O2- 4 a 0.882 0.239 0.483 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
La3+ 3.000
O2- -2.000
