#------------------------------------------------------------------------------
#$Date: 2015-07-10 11:30:36 +0200 (Fri 10 de Jul de 2015) $
#$Revision: 141637 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/14/1521426.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_1521426
loop_
_publ_author_name
'Knowles, J.C.'
'Gibson, I.R.'
'Abrahams, I.'
_publ_section_title
;
 High temperature phase transition in Ca3 (P O4)2 measured by neutron
 diffraction
;
_journal_name_full               Bioceramics
_journal_page_first              341
_journal_page_last               344
_journal_volume                  1999
_journal_year                    1999
_chemical_formula_sum            'Ca3 O8 P2'
_chemical_name_systematic        'Ca3 (P O4)2'
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.3601
_cell_length_b                   5.3601
_cell_length_c                   7.6978
_cell_volume                     191.533
_citation_journal_id_ASTM        BPCMFX
_cod_data_source_file            Knowles_BPCMFX_1999_673.cif
_cod_data_source_block           Ca3O8P2
_cod_original_cell_volume        191.5327
_cod_database_code               1521426
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
-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
P1 P+5 0.3333 0.6667 0.25 1 0.0
O2 O-2 0.2183 0.4366 0.3674 0.333 0.0
Ca2 Ca+2 0.3333 0.6667 0.75 0.75 0.0
O1 O-2 0.1732 0.3464 0.25 0.667 0.0
Ca1 Ca+2 0 0 0 0.75 0.0
