#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/38/1533862.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_1533862
loop_
_publ_author_name
'Viciu, L.'
'Golub, V.O.'
'Wiley, J.B.'
_publ_section_title
;
 Structural, thermal and magnetic characterization of the manganese
 oxyhalide layered perovskite, (Mn Cl) La Nb2 O7
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              88
_journal_page_last               93
_journal_volume                  175
_journal_year                    2003
_chemical_formula_sum            'Cl0.92 La Mn0.97 Nb2 O7'
_chemical_name_systematic        '(Mn0.97 Cl0.92) La (Nb2 O7)'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.9
_cell_length_b                   3.9
_cell_length_c                   12.019
_cell_volume                     182.809
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Viciu_JSSCBI_2003_216.cif
_cod_data_source_block           Cl0.92La1Mn0.97Nb2O7
_cod_original_formula_sum        'Cl0.92 La1 Mn0.97 Nb2 O7'
_cod_database_code               1533862
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
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
Cl1 Cl-1 0 0 0.5 0.92 0.0
La1 La+3 0 0 0 1 0.0
O3 O-2 0.5 0.5 0 1 0.0
Nb1 Nb+5 0.5 0.5 0.1894 1 0.0
Mn1 Mn+2 0.5 0.5 0.5 0.969 0.0
O1 O-2 0 0.5 0.1655 1 0.0
O2 O-2 0.5 0.5 0.3179 1 0.0
