#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/34/1533444.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_1533444
loop_
_publ_author_name
'Sharma, I.B.'
'Singh, C.'
'Singh, D.'
_publ_section_title
;
 Synthesis, structure, electric transport and magnetic properties of Sr3
 Mn Ti O7-d
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              11
_journal_page_last               14
_journal_volume                  375
_journal_year                    2004
_chemical_formula_sum            'Mn O6.891 Sr3 Ti'
_chemical_name_systematic        'Sr3 (Mn Ti O6.891)'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8488
_cell_length_b                   3.8488
_cell_length_c                   20.1627
_cell_volume                     298.675
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Sharma_JALCEU_2004_1517.cif
_cod_data_source_block           Mn1O6.891Sr3Ti1
_cod_original_cell_volume        298.6754
_cod_original_formula_sum        'Mn1 O6.891 Sr3 Ti1'
_cod_database_code               1533444
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+1/2,z+1/2
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 0 0.1132 0.5 0.0
O1 O-2 0 0 0 0.891 0.0
O2 O-2 0 0 0.1772 1 0.0
O3 O-2 0 0.5 0.0992 1 0.0
Sr2 Sr+2 0 0 0.3042 1 0.0
Sr1 Sr+2 0 0 0.5 1 0.0
Ti1 Ti+4 0 0 0.1132 0.5 0.0
