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#$Date: 2013-05-02 23:26:00 +0300 (Thu, 02 May 2013) $
#$Revision: 84903 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/51/14/1511466.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_1511466
loop_
_publ_author_name
'Goezel, G.'
'Kniep, R.'
'Asbrand, M.'
'Eisenmann, B.'
'Roehr, C.'
'Kizilyalli, M.'
_publ_section_title
;
 Borophosphates - a neglected class of compounds: the crystal structures
 of M(II) (B P O5) (M(II) = Ca, Sr) and Ba3 (B P3 O12)
;
_journal_name_full               'Angewandte Chemie (German Edition)'
_journal_page_first              791
_journal_page_last               793
_journal_volume                  106
_journal_year                    1994
_chemical_formula_sum            'B Ca O5 P'
_chemical_name_systematic        'Ca (B P O5)'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.6799
_cell_length_b                   6.6799
_cell_length_c                   6.6121
_cell_volume                     255.511
_citation_journal_id_ASTM        ANCEAD
_[local]_cod_data_source_file    boron0-1_95.cif
_[local]_cod_data_source_block   B1Ca1O5P1
_[local]_cod_chemical_formula_sum_orig 'B1 Ca1 O5 P1'
_cod_original_cell_volume        255.5112
_cod_database_code               1511466
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+1/3
-x+y,-x,z+2/3
y,x,-z
-x,-x+y,-z+1/3
x-y,-y,-z+2/3
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
O3 O-2 -0.051 -0.051 0 1 0.0
O2 O-2 0.617 0.466 0.134 1 0.0
P1 P+5 0.418 0.418 0 1 0.0
Ca1 Ca+2 0.41 0.41 0.5 1 0.0
B1 B+3 0.888 0.888 0.5 1 0.0
O1 O-2 0.36 0.22 0.862 1 0.0