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#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/07/1510740.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_1510740
loop_
_publ_author_name
'Wu, K.-C.'
'Zeng, W.-I.'
'Chen, C.-T.'
'Wu, B.-C.'
'Yu, L.-H.'
'Wang, Y.-B.'
_publ_section_title
;
 Design and synthesis of an ultraviolet-transparent nonlinear optical
 crystal Sr2 Be2 B2 O7
;
_journal_name_full               'Nature (London)'
_journal_page_first              322
_journal_page_last               324
_journal_paper_doi               10.1038/373322a0
_journal_volume                  373
_journal_year                    1995
_chemical_formula_sum            'B2 Be2 O7 Sr2'
_chemical_name_systematic        'Sr2 (Be2 B2 O7)'
_space_group_IT_number           188
_symmetry_space_group_name_Hall  'P -6c 2'
_symmetry_space_group_name_H-M   'P -6 c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.683
_cell_length_b                   4.683
_cell_length_c                   15.311
_cell_volume                     290.792
_citation_journal_id_ASTM        NATUAS
_cod_data_source_file            boron_23.cif
_cod_data_source_block           B2Be2O7Sr2
_cod_original_cell_volume        290.7921
_cod_database_code               1510740
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z+1/2
-y,x-y,z
x,y,-z+1/2
-x+y,-x,z
-y,x-y,-z+1/2
-y,-x,-z
-x+y,y,z+1/2
x,x-y,-z
-y,-x,z+1/2
-x+y,y,-z
x,x-y,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
Sr1 Sr+2 0 0 0 1 0.0
O2 O-2 0.6289 0.0221 0.1382 1 0.0
Be1 Be+2 0.3333 0.6667 0.1066 1 0.0
Sr2 Sr+2 0 0 0.25 1 0.0
O1 O-2 0.3333 0.6667 0 1 0.0
B1 B+3 0.6667 0.3333 0.1279 1 0.0
