#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/00/2310099.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_2310099
loop_
_publ_author_name
'Parthe, E.'
'Schob, O.'
_publ_section_title
;
 AB compounds with Sc, Y and rare earth metals. I. Scandium and yttrium
 compounds with Cr B and Cs Cl structure
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              214
_journal_page_last               224
_journal_paper_doi               10.1107/S0365110X65003134
_journal_volume                  19
_journal_year                    1965
_chemical_formula_sum            'B Ta'
_chemical_name_systematic        'Ta B'
_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_formula_units_Z            4
_cell_length_a                   3.276
_cell_length_b                   8.669
_cell_length_c                   3.157
_cell_volume                     89.658
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            boron0-1_461.cif
_cod_data_source_block           B1Ta1
_cod_original_cell_volume        89.65768
_cod_original_formula_sum        'B1 Ta1'
_cod_database_code               2310099
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-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
Ta1 Ta 0 0.146 0.25 1 0.0
B1 B 0 0.44 0.25 1 0.0
