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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/40/1534082.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_1534082
loop_
_publ_author_name
'Lufaso, M.W.'
'Woodward, P.M.'
'Goldberger, J.'
_publ_section_title
;
 Crystal structures of disordered A2 Mn(3+) M(5+) O6 (A = Sr, Ca; M = Sb,
 Nb, Ru) perovskites
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1651
_journal_page_last               1659
_journal_volume                  177
_journal_year                    2004
_chemical_formula_sum            'Ca2 Mn O6 Sb'
_chemical_name_systematic        'Ca2 (Mn Sb O6)'
_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            2
_cell_length_a                   5.5549
_cell_length_b                   7.6941
_cell_length_c                   5.4591
_cell_volume                     233.322
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Lufaso_JSSCBI_2004_1695.cif
_cod_data_source_block           Ca2Mn1O6Sb1
_cod_original_cell_volume        233.3217
_cod_original_formula_sum        'Ca2 Mn1 O6 Sb1'
_cod_database_code               1534082
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
Mn1 Mn+3 0.5 0 0 0.5 0.0
Ca1 Ca+2 0.5469 0.25 0.511 1 0.0
O1 O-2 -0.0257 0.25 0.4135 1 0.0
Sb1 Sb+5 0.5 0 0 0.5 0.0
O2 O-2 0.2942 0.0434 0.7031 1 0.0
