#------------------------------------------------------------------------------
#$Date: 2015-07-14 00:35:33 +0200 (mar 14 de jul de 2015) $
#$Revision: 151333 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/87/1528728.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_1528728
loop_
_publ_author_name
'Mathew, M.'
'Brown, W.E.'
'Austin, M.'
'Negas, T.'
_publ_section_title
;
 Lead alkali apatites without hexad anion: The crystal structure of Pb8 K2
 (P O4)6
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              69
_journal_page_last               76
_journal_volume                  35
_journal_year                    1980
_chemical_formula_sum            'K2 O24 P6 Pb8'
_chemical_name_systematic        'Pb8 K2 (P O4)6'
_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            1
_cell_length_a                   9.827
_cell_length_b                   9.827
_cell_length_c                   7.304
_cell_volume                     610.848
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Mathew_JSSCBI_1980_6.cif
_cod_data_source_block           K2O24P6Pb8
_cod_original_cell_volume        610.8481
_cod_database_code               1528728
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
Pb1 Pb+2 0.3333 0.6667 -0.0069 0.543 0.0
O3 O-2 0.2695 0.3498 0.0811 1 0.0
O1 O-2 0.4721 0.3095 0.25 1 0.0
Pb2 Pb+2 0.2585 0.0033 0.25 0.971 0.0
K2 K+1 0.2585 0.0033 0.25 0.029 0.0
O2 O-2 0.4859 0.5715 0.25 1 0.0
P1 P+5 0.3767 0.3932 0.25 1 0.0
K1 K+1 0.3333 0.6667 -0.0069 0.467 0.0
