#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/13/1511335.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_1511335
loop_
_publ_author_name
'Ito, A.'
'Miura, N.'
'Akao, M.'
'Otsuka, R.'
'Tsutsumi, S.'
_publ_section_title
;
 Flux growth and crystal structure of boron-containing apatite
;
_journal_name_full
'Nippon Seramikkusu Kyokai Gakujutsu Ronbunshi'
_journal_page_first              305
_journal_page_last               309
_journal_paper_doi               10.2109/jcersj.96.305
_journal_volume                  96
_journal_year                    1988
_chemical_formula_sum            'B0.83 Ca9.93 O25.79 P5.84'
_chemical_name_systematic        'Ca9.93 (P5.84 B0.16 O24) (B0.67 O1.79)'
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   9.456
_cell_length_b                   9.456
_cell_length_c                   6.905
_cell_volume                     534.699
_citation_journal_id_ASTM        NSKRE2
_cod_data_source_file            boron0-1_47.cif
_cod_data_source_block           B0.83Ca9.93O25.79P5.84
_cod_original_cell_volume        534.6989
_cod_database_code               1511335
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-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
O4 O-2 0.3613 0.2715 0.4403 1 0.0
O1 O-2 0.3282 0.484 0.2523 1 0.0
Ca3 Ca+2 0.0102 0.2605 0.243 1 0.0
P1 P+5 0.3979 0.3686 0.252 0.973 0.0
Ca1 Ca+2 0.3333 0.6667 0.0083 0.963 0.0
O3 O-2 0.3254 0.2468 0.0848 1 0.0
B1 B+3 0 0 0.5 0.83 0.0
O2 O-2 0.5839 0.4631 0.2279 1 0.0
O5 O-2 0 0 0.315 0.897 0.0
Ca2 Ca+2 0.3333 0.6667 0.5037 1 0.0
