#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/19/1531968.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_1531968
loop_
_publ_author_name
'Pissas, M.'
'Kallias, G.'
'Hofmann, M.'
'Toebbens, D.M.'
_publ_section_title
;
 Crystal and magnetic structure of the La1-x Cax Mn O3 compound (x =0.8,
 0.85)
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              064413-1
_journal_page_last               064413-9
_journal_volume                  65
_journal_year                    2002
_chemical_formula_sum            'Ca0.85 La0.15 Mn O3'
_chemical_name_systematic        '(La0.15 Ca0.85) Mn O3'
_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                   5.3243
_cell_length_b                   7.5193
_cell_length_c                   5.3189
_cell_volume                     212.942
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Pissas_PRBMDO_2002_1237.cif
_cod_data_source_block           Ca0.85La0.15Mn1O3
_cod_original_cell_volume        212.9422
_cod_original_formula_sum        'Ca0.85 La0.15 Mn1 O3'
_cod_database_code               1531968
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
O2 O-2 0.2828 0.0338 0.7151 1 0.0
Mn1 Mn+3 0 0 0.5 1 0.0
La1 La+3 0.0247 0.25 -0.009 0.15 0.0
Ca1 Ca+2 0.0247 0.25 -0.009 0.85 0.0
O1 O-2 0.4913 0.25 0.061 1 0.0
