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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/69/2106976.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_2106976
loop_
_publ_author_name
'Harris, L.A.'
'Yakel, H.L.jr.'
_publ_section_title
;
 The Crystal Structure of Sr Be3 O4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1647
_journal_page_last               1651
_journal_volume                  25
_journal_year                    1969
_chemical_formula_sum            'Be3 O4 Sr'
_chemical_name_systematic        'Sr Be3 O4'
_space_group_IT_number           190
_symmetry_space_group_name_Hall  'P -6c -2c'
_symmetry_space_group_name_H-M   'P -6 2 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   4.5961
_cell_length_b                   4.5961
_cell_length_c                   8.93
_cell_volume                     163.366
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Harris_ACBCAR_1969_1133.cif
_cod_data_source_block           Be3O4Sr1
_cod_original_cell_volume        163.3658
_cod_original_formula_sum        'Be3 O4 Sr1'
_cod_database_code               2106976
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+1/2
x-y,-y,-z
-x,-x+y,z+1/2
y,x,-z
x-y,-y,z+1/2
-x,-x+y,-z
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
O1 O-2 0.66667 0.33333 0.25 1 0.0
Be2 Be+2 0 0 0 1 0.0
O2 O-2 -0.33371 0 0 1 0.0
Sr1 Sr+2 0.33333 0.66667 0.25 1 0.0
Be1 Be+2 0.33333 0.66667 0.57075 1 0.0
