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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/1/52/95/1529573.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_1529573
loop_
_publ_author_name
'Aurivillius, B.'
_publ_section_title
;
 Crystal structure of Nd Bi5 O8 Cl2. Single crystal investigations on Bi3
 O4 Br and Bi12 O17 Cl2
;
_journal_name_full               'Chemica Scripta'
_journal_page_first              125
_journal_page_last               129
_journal_volume                  24
_journal_year                    1984
_chemical_formula_sum            'Bi2.5 Cl Nd0.5 O4'
_chemical_name_systematic        '(Nd Bi5).5 O4 Cl'
_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                   3.9058
_cell_length_b                   3.9058
_cell_length_c                   8.779
_cell_volume                     133.926
_citation_journal_id_ASTM        CSRPB9
_cod_data_source_file            Aurivillius_CSRPB9_1984_1103.cif
_cod_data_source_block           Bi2.5Cl1Nd0.5O4
_cod_original_cell_volume        133.9261
_cod_original_formula_sum        'Bi2.5 Cl1 Nd0.5 O4'
_cod_database_code               1529573
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
Bi1 Bi+3 0 0 0 0.833 0.0
Nd1 Nd+3 0 0 0 0.167 0.0
Cl1 Cl-1 0 0 0.5 1 0.0
O1 O-2 0 0.5 0.1618 1 0.0
Nd2 Nd+3 0.5 0.5 0.28447 0.167 0.0
Bi2 Bi+3 0.5 0.5 0.28447 0.833 0.0
