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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/40/1534034.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_1534034
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 Mn0.8 O3 Sb0.2'
_chemical_name_systematic        'Ca ((Sb0.2 Mn0.8) 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                 91.054
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.352
_cell_length_b                   7.5199
_cell_length_c                   5.3978
_cell_volume                     217.206
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Poltavets_JSSCBI_2004_1656.cif
_cod_data_source_block           Ca1Mn0.8O3Sb0.2
_cod_original_cell_volume        217.2058
_cod_original_formula_sum        'Ca1 Mn0.8 O3 Sb0.2'
_cod_database_code               1534034
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
O3 O-2 0.279 0.047 0.249 1 0.0
O1 O-2 -0.037 0.25 0.51 1 0.0
Mn1 Mn+3 0.5 0 0 0.8 0.0
Ca1 Ca+2 -0.013 0.25 -0.017 1 0.0
Sb2 Sb+5 0 0 0.5 0.2 0.0
Ca2 Ca+2 0.512 0.25 0.466 1 0.0
O4 O-2 0.186 0.051 0.801 1 0.0
Mn2 Mn+3 0 0 0.5 0.8 0.0
O2 O-2 0.554 0.25 -0.004 1 0.0
Sb1 Sb+5 0.5 0 0 0.2 0.0
