#------------------------------------------------------------------------------
#$Date: 2015-07-06 23:00:59 +0300 (Mon, 06 Jul 2015) $
#$Revision: 140355 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/08/1520809.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_1520809
loop_
_publ_author_name
'Bakhous, K.'
'Cherkaoui, F.'
'Benabad, A.'
'Savariault, J.M.'
_publ_section_title
;
 New phosphosilicates with Nasicon structure type
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              263
_journal_page_last               269
_journal_volume                  34
_journal_year                    1999
_chemical_formula_sum            'La0.167 O12 P2.833 Pb0.333 Si0.167 Zr2'
_chemical_name_systematic
'La0.167 Pb0.333 Zr2 (P O4)2.833 (Si O4)0.167'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   8.692
_cell_length_b                   8.692
_cell_length_c                   23.45
_cell_volume                     1534.309
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Bakhous_MRBUAC_1999_514.cif
_cod_data_source_block           La0.167O12P2.833Pb0.333Si0.167Zr2
_cod_database_code               1520809
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
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-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
Pb1 Pb+2 0 0 0 0.0667 0.0
O3 O-2 0.209 0.145 0.0972 1 0.0
Zr2 Zr+4 0 0 0.6511 1 0.0
Pb2 Pb+2 0 0 0.5 0.6 0.0
La1 La+3 0 0 0 0.0333 0.0
O2 O-2 0.015 0.819 0.6937 1 0.0
La2 La+3 0 0 0.5 0.3 0.0
P1 P+5 0.288 -0.001 0.246 0.9444 0.0
O4 O-2 0.803 0.806 0.5894 1 0.0
Si1 Si+4 0.288 -0.001 0.246 0.0556 0.0
O1 O-2 0.158 -0.064 0.202 1 0.0
Zr1 Zr+4 0 0 0.1441 1 0.0
