#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/40/1534053.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_1534053
loop_
_publ_author_name
'Liu Yanmei'
'Zheng Renkui'
'Zhao Zongyan'
'Yang Kuntang'
'Han Jiahua'
_publ_section_title
;
 Study of crystal structure of La0.25 Ca0.75 Mn O3
;
_journal_name_full               'Diwen Wuli Xuebao'
_journal_page_first              215
_journal_page_last               221
_journal_volume                  25
_journal_year                    2003
_chemical_formula_sum            'Ca0.75 La0.25 Mn O3'
_chemical_name_systematic        '(La0.25 Ca0.75) (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                   5.3559
_cell_length_b                   7.5537
_cell_length_c                   5.3587
_cell_volume                     216.796
_citation_journal_id_ASTM        DWXUES
_cod_data_source_file            LiuYanmei_DWXUES_2003_1256.cif
_cod_data_source_block           Ca0.75La0.25Mn1O3
_cod_original_cell_volume        216.7962
_cod_original_formula_sum        'Ca0.75 La0.25 Mn1 O3'
_cod_database_code               1534053
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 0.2807 0.0338 0.7182 1 0.0
Ca1 Ca+2 0.0329 0.25 -0.0223 0.75 0.0
La1 La+3 0.0329 0.25 -0.0223 0.25 0.0
O1 O-2 0.4838 0.25 0.0515 1 0.0
Mn1 Mn+3 0.5 0 0 1 0.0
