#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/00/1530018.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_1530018
loop_
_publ_author_name
'Greaves, C.'
'Blower, S.K.'
_publ_section_title
;
 Structural relationships between Bi2 O2 C O3 and beta-Bi2 O3
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1001
_journal_page_last               1008
_journal_volume                  23
_journal_year                    1988
_chemical_formula_sum            'C Bi2 O5'
_chemical_name_systematic        'Bi2 (C O3) O2'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.468
_cell_length_b                   27.32
_cell_length_c                   5.468
_cell_volume                     816.841
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Greaves_MRBUAC_1988_1714.cif
_cod_data_source_block           C1Bi2O5
_cod_original_cell_volume        816.8413
_cod_original_formula_sum        'C1 Bi2 O5'
_cod_database_code               1530018
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y+1/2,z+1/2
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+3 0.004 0.547 0.98 1 0.0
O2 O-2 0.245 0.251 0.751 1 0.0
C2 C+4 0.971 0.125 0.466 1 0.0
O7 O-2 0.165 0.108 0.347 1 0.0
O6 O-2 0.973 0.577 0.523 1 0.0
O3 O-2 0.26 0.001 0.257 1 0.0
Bi2 Bi+3 0.51 0.204 0.501 1 0.0
Bi4 Bi+3 0.499 0.547 0.485 1 0.0
O5 O-2 0.01 0.173 0.487 1 0.0
O10 O-2 0.334 0.116 0.839 1 0.0
Bi1 Bi+3 0.005 0.203 0 1 0.0
O8 O-2 0.862 0.102 0.609 1 0.0
O9 O-2 0.647 0.147 0.115 1 0.0
C1 C+4 0.522 0.127 0.97 1 0.0
O1 O-2 0.267 0.249 0.241 1 0.0
O4 O-2 0.243 0.001 0.749 1 0.0
