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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/59/1525969.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_1525969
loop_
_publ_author_name
'El Koumiri, M.'
'Oishi, S.'
'Elouadi, B.'
'Sato, S.'
'El Ammari, L.'
_publ_section_title
;
 The crystal structure of the lacunar apatite Na Pb4 (P O4)3
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              503
_journal_page_last               513
_journal_volume                  35
_journal_year                    2000
_chemical_formula_sum            'Na O12 P3 Pb4'
_chemical_name_systematic        'Na Pb4 (P O4)3'
_space_group_IT_number           176
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   9.7249
_cell_length_b                   9.7249
_cell_length_c                   7.19
_cell_volume                     588.884
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            ElKoumiri_MRBUAC_2000_321.cif
_cod_data_source_block           Na1O12P3Pb4
_cod_original_cell_volume        588.8841
_cod_original_formula_sum        'Na1 O12 P3 Pb4'
_cod_database_code               1525969
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
-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
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 0.2681 0.348 0.58 1 0.0
P1 P+5 0.3792 0.3992 0.75 1 0.0
O1 O-2 0.4843 0.3218 0.75 1 0.0
O3 O-2 0.4812 0.5837 0.75 1 0.0
Pb1 Pb+2 0.25642 0.25802 0.25 1 0.0
Pb2 Pb+2 0.6667 0.3333 0.5106 0.5 0.0
Na1 Na+1 0.6667 0.3333 0.5106 0.5 0.0
