#------------------------------------------------------------------------------
#$Date: 2016-02-14 05:40:26 +0100 (dom 14 de feb de 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/07/1510731.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_1510731
loop_
_publ_author_name
'Schaffers, K.I.'
'Keszler, D.A.'
_publ_section_title
;
 The layered borate SrBe2(BO3)2
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              270
_journal_page_last               274
_journal_paper_doi               10.1016/S0022-4596(05)80083-0
_journal_volume                  85
_journal_year                    1990
_chemical_formula_sum            'B2 Be2 O6 Sr'
_chemical_name_systematic        'Sr Be2 (B O3)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 112.17
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.247
_cell_length_b                   4.492
_cell_length_c                   11.561
_cell_volume                     444.712
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron_22.cif
_cod_data_source_block           B2Be2O6Sr1
_cod_original_cell_volume        444.7122
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'B2 Be2 O6 Sr1'
_cod_database_code               1510731
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
Be1 Be+2 0.6266 -0.099 0.049 1 0.0
O3 O-2 0.5401 0.4882 0.7886 1 0.0
B1 B+3 0.4501 0.563 0.8549 1 0.0
O2 O-2 0.3442 0.121 0.4217 1 0.0
O6 O-2 0.7576 -0.0814 0.8177 1 0.0
O1 O-2 0.2848 0.5132 0.5315 1 0.0
Sr1 Sr+2 0.42743 0.02664 0.65652 1 0.0
O5 O-2 0.1635 -0.1286 0.6418 1 0.0
B2 B+3 0.2948 0.409 0.4246 1 0.0
Be2 Be+2 0.2164 -0.062 0.3077 1 0.0
O4 O-2 0.4728 0.8365 0.9127 1 0.0
