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#$Date: 2015-10-05 16:13:39 +0300 (Mon, 05 Oct 2015) $
#$Revision: 160341 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/40/1534036.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_1534036
loop_
_publ_author_name
'Poltavets, V.'
'Vidyasagar, K.'
'Jansen, M.'
_publ_section_title
;
 Crystal structures and magnetic properties of Ca Sbx Mn1-x O3 perovskites
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1285
_journal_page_last               1291
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Ca Mn0.75 O3 Sb0.25'
_chemical_name_systematic        'Ca ((Sb0.25 Mn0.75) 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                 91.47
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3859
_cell_length_b                   7.5387
_cell_length_c                   5.4348
_cell_volume                     220.595
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Poltavets_JSSCBI_2004_1657.cif
_cod_data_source_block           Ca1Mn0.75O3Sb0.25
_cod_original_cell_volume        220.5948
_cod_chemical_formula_sum_orig   'Ca1 Mn0.75 O3 Sb0.25'
_cod_database_code               1534036
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
O2 O-2 0.568 0.25 -0.01 1 0.0
Sb2 Sb+5 0 0 0.5 0.25 0.0
O4 O-2 0.193 0.04 0.794 1 0.0
Ca2 Ca+2 0.498 0.25 0.544 1 0.0
Ca1 Ca+2 -0.001 0.25 0.033 1 0.0
Sb1 Sb+5 0.5 0 0 0.25 0.0
Mn1 Mn+3 0.5 0 0 0.75 0.0
O1 O-2 -0.07 0.25 0.4827 1 0.0
Mn2 Mn+3 0 0 0.5 0.75 0.0
O3 O-2 0.282 0.044 0.283 1 0.0