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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/11/1011137.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_1011137
loop_
_publ_author_name
'Hendricks, S B'
'Jefferson, M E'
'Mosley, V M'
_publ_section_title
;
The crystal structures of some natural and synthetic apatite-like
substances
;
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              352
_journal_page_last               369
_journal_volume                  81
_journal_year                    1932
_chemical_compound_source        'from Hunter Min. Dist., Shoshone Co., Idaho'
_chemical_formula_structural     'Pb5 (P O4)3 Cl'
_chemical_formula_sum            'Cl O12 P3 Pb5'
_chemical_name_mineral           Pyromorphite
_chemical_name_systematic        'Pentalead tris(phosphate(V)) chloride'
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_Int_Tables_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                   9.95(2)
_cell_length_b                   9.95(2)
_cell_length_c                   7.31(2)
_cell_volume                     626.7
_exptl_crystal_density_meas      7.04(4)
_cod_database_code               1011137
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
-x,-y,1/2+z
y,y-x,1/2+z
x-y,x,1/2+z
-x,-y,-z
y,y-x,-z
x-y,x,-z
x,y,1/2-z
-y,x-y,1/2-z
y-x,-x,1/2-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Pb1 Pb2+ 4 f 0.3333 0.6667 0. 1. 0 d
Pb2 Pb2+ 6 h 0.25 0.063 0.25 1. 0 d
P1 P5+ 6 h 0.417 0.369 0.25 1. 0 d
O1 O2- 6 h 0.344 0.481 0.25 1. 0 d
O2 O2- 6 h 0.6 0.464 0.25 1. 0 d
O3 O2- 12 i 0.35 0.25 0.064 1. 0 d
Cl1 Cl1- 2 b 0. 0. 0. 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Pb2+ 2.000
P5+ 5.000
O2- -2.000
Cl1- -1.000