#------------------------------------------------------------------------------
#$Date: 2010-04-10 20:37:29 +0200 (Sat, 10 Apr 2010) $
#$Revision: 1071 $
#$URL: svn://www.crystallography.net/cod/cif/9/9010005.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9010005
loop_
_publ_author_name
'Giuseppetti, G.'
'Tadini, C.'
_publ_section_title
;
 Riesame della struttura cristallina della nadorite: PbSbO2Cl
 Locality: Djebel Nador, Algeria
;
_journal_name_full               'Periodico di Mineralogia'
_journal_page_first              335
_journal_page_last               345
_journal_volume                  42
_journal_year                    1973
_chemical_formula_sum            'Cl O2 Pb Sb'
_chemical_name_mineral           Nadorite
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.603
_cell_length_b                   12.245
_cell_length_c                   5.448
_cell_volume                     373.780
_exptl_crystal_density_diffrn    7.044
_[local]_cod_data_source_file    cifdata.txt
_[local]_cod_data_source_block   'global_13158'
_[local]_cod_chemical_formula_sum_orig 'Pb Sb O2 Cl'
_cod_database_code               9010005
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,1/2+z
1/2+x,1/2-y,1/2+z
-x,y,1/2-z
1/2-x,1/2+y,1/2-z
-x,y,z
1/2-x,1/2+y,z
x,-y,-z
1/2+x,1/2-y,-z
x,y,1/2-z
1/2+x,1/2+y,1/2-z
-x,-y,1/2+z
1/2-x,1/2-y,1/2+z
-x,-y,-z
1/2-x,1/2-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Pb 0.00000 0.38120 0.25000
Sb 0.00000 0.07950 0.25000
O 0.21830 0.00000 0.00000
Cl 0.00000 0.74580 0.25000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Pb 0.01288 0.01595 0.01383 0.00000 0.00000 0.00000
Sb 0.01288 0.01215 0.01383 0.00000 0.00000 0.00000
O 0.00811 0.00912 0.01203 0.00000 0.00000 0.00372
Cl 0.02115 0.02431 0.02451 0.00000 0.00000 0.00000