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#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/17/4001747.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_4001747
loop_
_publ_author_name
'Zhang Guochun'
'Du Chenxia'
'Pan Shilie'
'Chen Chuangyan'
'Fu Peizhen'
'Wu Xicheng'
'Li Zhihua'
_publ_section_title
;
 Growth, structure and properties of single crystals of Sr B P O5
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              2218
_journal_page_last               2221
_journal_volume                  15
_journal_year                    2003
_chemical_formula_sum            'B O5 P Sr'
_chemical_name_systematic        'Sr (B P O5)'
_space_group_IT_number           154
_symmetry_space_group_name_Hall  'P 32 2"'
_symmetry_space_group_name_H-M   'P 32 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.885
_cell_length_b                   6.885
_cell_length_c                   6.87
_cell_volume                     282.030
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            boron0-1_419.cif
_cod_data_source_block           B1O5P1Sr1
_cod_original_cell_volume        282.03
_cod_original_formula_sum        'B1 O5 P1 Sr1'
_cod_database_code               4001747
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+2/3
-x+y,-x,z+1/3
y,x,-z
-x,-x+y,-z+2/3
x-y,-y,-z+1/3
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 0.6624 0.8116 0.1275 1 0.0
O3 O-2 0.0444 0.0444 0 1 0.0
B1 B+3 0.899 0 0.1667 1 0.0
Sr1 Sr+2 0.395 0 0.1667 1 0.0
O1 O-2 0.55 0.4122 0.1436 1 0.0
P1 P+5 0.4051 0 0.6667 1 0.0
