#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/01/2310110.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310110
loop_
_publ_author_name
'Krogh-Moe, J.'
'Ihara, M.'
_publ_section_title
;
 The crystal structure of cadmium diborate, Cd O (B2 O3)2
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              132
_journal_page_last               134
_journal_paper_doi               10.1107/S0365110X66000239
_journal_volume                  20
_journal_year                    1966
_chemical_formula_sum            'B4 Cd O7'
_chemical_name_systematic        'Cd (B4 O7)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.21
_cell_length_b                   8.7
_cell_length_c                   14.18
_cell_volume                     1012.835
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            boron4-x_23.cif
_cod_data_source_block           B4Cd1O7
_cod_original_formula_sum        'B4 Cd1 O7'
_cod_database_code               2310110
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,z-1/2
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
O4 O-2 0.4733 0.3837 0.1489 1 0.0
O3 O-2 0.3544 0.3759 0.0021 1 0.0
O2 O-2 0.3853 0.1325 0.098 1 0.0
B3 B+3 0.5061 0.064 0.1624 1 0.0
O5 O-2 0.5335 0.1642 0.2433 1 0.0
O7 O-2 0.6595 0.0428 0.1147 1 0.0
B2 B+3 0.514 0.3285 0.2346 1 0.0
B4 B+3 0.7019 0.1374 0.0425 1 0.0
B1 B+3 0.4473 0.2864 0.0679 1 0.0
O6 O-2 0.6094 0.2561 0.0201 1 0.0
O1 O-2 0.0543 0.4103 0.1875 1 0.0
Cd1 Cd+2 0.121 0.1105 0.1125 1 0.0
