#------------------------------------------------------------------------------
#$Date: 2016-02-14 15:26:36 +0100 (dom 14 de feb de 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/06/1510650.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_1510650
loop_
_publ_author_name
'Smith, R.W.'
'Keszler, D.A.'
_publ_section_title
;
 Syntheses and crystal structures of the alpha- and beta-forms of the
 orthoborate Sr2 Cu (B O3)2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              305
_journal_page_last               313
_journal_paper_doi               10.1016/0022-4596(89)90019-4
_journal_volume                  81
_journal_year                    1989
_chemical_formula_sum            'B2 Cu O6 Sr2'
_chemical_name_systematic        'Sr2 Cu (B O3)2'
_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                 116.98
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.707
_cell_length_b                   8.796
_cell_length_c                   6.027
_cell_volume                     269.620
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron_132.cif
_cod_data_source_block           B2Cu1O6Sr2
_cod_original_cell_volume        269.6201
_cod_original_formula_sum        'B2 Cu1 O6 Sr2'
_cod_database_code               1510650
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
O2 O-2 0.0375 0.1863 0.185 1 0.0
O1 O-2 0.795 0.4068 0.1813 1 0.0
B1 B+3 0.805 0.2521 0.6597 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
Sr1 Sr+2 0.3285 0.1049 0.6591 1 0.0
O3 O-2 0.5909 0.3388 0.6146 1 0.0
