#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/63/1526399.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_1526399
loop_
_publ_author_name
'Huang, Q.'
'Lynn, J.W.'
'Ghosh, K.'
'Erwin, R.W.'
'Dender, D.C.'
'Smolyaninova, V.N.'
'Santoro, A.'
'Greene, R.L.'
_publ_section_title
;
 Temperature and field dependence of the phase separation, structure and
 magnetic ordering in La1-x Cax Mn O3 (x = 0.47, 0.50 and 0.53)
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              8895
_journal_page_last               8905
_journal_volume                  61
_journal_year                    2000
_chemical_formula_sum            'Ca0.47 La0.53 Mn O3'
_chemical_name_systematic        '(La0.53 Ca0.47) (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                   5.4229
_cell_length_b                   7.6559
_cell_length_c                   5.4306
_cell_volume                     225.463
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Huang_PRBMDO_2000_474.cif
_cod_data_source_block           Ca0.47La0.53Mn1O3
_cod_original_cell_volume        225.4632
_cod_original_formula_sum        'Ca0.47 La0.53 Mn1 O3'
_cod_database_code               1526399
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
Ca1 Ca+2 0.022 0.25 -0.0042 0.47 0.0
La1 La+3 0.022 0.25 -0.0042 0.53 0.0
O2 O-2 0.2767 0.0314 0.7249 1 0.0
O1 O-2 0.4918 0.25 0.0632 1 0.0
Mn1 Mn+3 0 0 0.5 1 0.0
