#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/19/1531966.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_1531966
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            'Ca0.8 La0.2 Mn O3'
_chemical_name_systematic        '(La0.2 Ca0.8) Mn O3'
_space_group_IT_number           11
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.502
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3529
_cell_length_b                   7.4648
_cell_length_c                   5.3506
_cell_volume                     213.728
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Pissas_PRBMDO_2002_1235.cif
_cod_data_source_block           Ca0.8La0.2Mn1O3
_cod_original_cell_volume        213.7276
_cod_original_formula_sum        'Ca0.8 La0.2 Mn1 O3'
_cod_database_code               1531966
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z
-x,-y,-z
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
La1 La+3 0.022 0.25 -0.005 0.2 0.0
O1 O-2 0.497 0.25 0.061 1 0.0
Ca2 Ca+2 0.522 0.25 0.509 0.8 0.0
Ca1 Ca+2 0.022 0.25 -0.006 0.8 0.0
Mn1 Mn+3 0.5 0 0 1 0.0
O3 O-2 0.282 0.038 0.721 1 0.0
La2 La+3 0.522 0.25 0.509 0.2 0.0
Mn2 Mn+3 0 0 0.5 1 0.0
O2 O-2 0.988 0.25 0.438 1 0.0
O4 O-2 0.781 0.028 0.779 1 0.0
