#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/94/7209497.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_7209497
loop_
_publ_author_name
'Bluhm, K.'
'Schaefer, J.'
_publ_section_title
;
 Cu Tb2 (B8 O16): Das erste "Metaborat" mit einem 1/infinite(B8 O16)8-
 -Anion
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische
 Chemie (42,1987-)
;
_journal_page_first              757
_journal_page_last               761
_journal_volume                  50
_journal_year                    1995
_chemical_formula_sum            'B8 Cu O16 Tb2'
_chemical_name_systematic        'Cu Tb2 (B8 O16)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.45
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.246
_cell_length_b                   8.3493
_cell_length_c                   6.2287
_cell_volume                     532.830
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            boron4-x_353.cif
_cod_data_source_block           B8Cu1O16Tb2
_cod_original_cell_volume        532.8298
_cod_original_formula_sum        'B8 Cu1 O16 Tb2'
_cod_database_code               7209497
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
O8 O-2 0.642 0.6542 0.0609 1 0.0
O7 O-2 0.5072 0.8775 0.1528 1 0.0
Cu1 Cu+2 0.5 0.5 0 1 0.0
Tb1 Tb+3 0.81781 0.48773 0.00773 1 0.0
O5 O-2 0.263 0.0964 0.8407 1 0.0
O6 O-2 0.3669 0.6596 0.0553 1 0.0
O4 O-2 0.2793 0.9121 0.145 1 0.0
B1 B+3 0.0009 0.1819 0.1095 1 0.0
B4 B+3 0.6285 0.8059 0.1235 1 0.0
B3 B+3 0.3857 0.8115 0.1138 1 0.0
O3 O-2 0.1072 0.0793 0.1377 1 0.0
O2 O-2 0.8763 0.1194 0.1494 1 0.0
B2 B+3 0.1931 0.9943 0.9918 1 0.0
O1 O-2 0.0119 0.335 0.0542 1 0.0
