#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/82/1528275.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_1528275
loop_
_publ_author_name
'von Schnering, H.G.'
'Kalveram, C.'
'von Benda, H.'
_publ_section_title
;
 Wismutmonojodid Bi J, eine Verbindung mit Bi(0) und Bi(II)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              37
_journal_page_last               52
_journal_volume                  438
_journal_year                    1978
_chemical_formula_sum            'Bi I'
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.96
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   14.245
_cell_length_b                   4.428
_cell_length_c                   19.968
_cell_volume                     1257.838
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            vonSchnering_ZAACAB_1978_1548.cif
_cod_data_source_block           Bi1I1
_cod_original_formula_sum        'Bi1 I1'
_cod_database_code               1528275
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
-x,-y,-z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
Bi3 Bi+1 0.0012 0 0.1037 1 0.0
I3 I-1 0.1101 0 0.4408 1 0.0
I1 I-1 0.6391 0 0.0558 1 0.0
I4 I-1 0.3932 0 0.3626 1 0.0
Bi2 Bi+1 0.6977 0 0.2413 1 0.0
Bi1 Bi+1 0.0535 0 0.2541 1 0.0
Bi4 Bi+1 0.2524 0 0.6086 1 0.0
I2 I-1 0.3606 0 0.1501 1 0.0
