#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/17/1531712.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_1531712
loop_
_publ_author_name
'Knee, C.S.'
'Weller, M.T.'
_publ_section_title
;
 New layered manganese oxychlorides
;
_journal_name_full
'Materials Research Society Symposia Proceedings'
_journal_page_first              157
_journal_page_last               162
_journal_volume                  718
_journal_year                    2002
_chemical_formula_sum            'Cl Mn O3 Sr2'
_chemical_name_systematic        'Sr2 Mn O3 Cl'
_space_group_IT_number           129
_symmetry_space_group_name_Hall  '-P 4a 2a'
_symmetry_space_group_name_H-M   'P 4/n m m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8417
_cell_length_b                   3.8417
_cell_length_c                   14.7372
_cell_volume                     217.501
_citation_journal_id_ASTM        MRSPDH
_cod_data_source_file            Knee_MRSPDH_2002_1207.cif
_cod_data_source_block           Cl1Mn1O3Sr2
_cod_original_cell_volume        217.5013
_cod_original_formula_sum        'Cl1 Mn1 O3 Sr2'
_cod_database_code               1531712
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x,z
-x+1/2,-y+1/2,z
y,-x+1/2,z
x+1/2,-y,-z
y+1/2,x+1/2,-z
-x,y+1/2,-z
-y,-x,-z
-x,-y,-z
y-1/2,-x,-z
x-1/2,y-1/2,-z
-y,x-1/2,-z
-x-1/2,y,z
-y-1/2,-x-1/2,z
x,-y-1/2,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
Sr2 Sr+2 0.25 0.25 0.34372 1 0.0
O1 O-2 0.75 0.25 0.2311 1 0.0
Cl1 Cl-1 0.75 0.75 0.4264 1 0.0
O2 O-2 0.75 0.75 0.0734 1 0.0
Sr1 Sr+2 0.25 0.25 0.09083 1 0.0
Mn1 Mn+3 0.75 0.75 0.2103 1 0.0
