#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/75/1537580.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_1537580
loop_
_publ_author_name
'Lehmann, U.'
_publ_section_title
;
 Zum Problem der Oktaederstreckung an La Cu O4, La Ni O4 mit einem Beitrag
 ber Ca Sm Al O4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              47
_journal_page_last               52
_journal_volume                  447
_journal_year                    1978
_chemical_formula_sum            'Al Ca O4 Sm'
_chemical_name_systematic        'Ca Sm Al O4'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.675
_cell_length_b                   3.675
_cell_length_c                   12.053
_cell_volume                     162.783
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Lehmann_ZAACAB_1978_908.cif
_cod_data_source_block           Al1Ca1O4Sm1
_cod_original_cell_volume        162.7833
_cod_original_formula_sum        'Al1 Ca1 O4 Sm1'
_cod_database_code               1537580
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+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
O2 O-2 0 0 0.169 1 0.0
Al1 Al+3 0 0 0 1 0.0
Sm1 Sm+3 0 0 0.3583 0.5 0.0
Ca1 Ca+2 0 0 0.3583 0.5 0.0
O1 O-2 0 0.5 0 1 0.0
