#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/57/2005743.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_2005743
_publ_section_title
;
Chlorapatite:  Ca₅(AsO₄)₃Cl
;
_journal_name_full               'Acta Crystallographica C'
_journal_page_first              2959
_journal_page_last               2960
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         Ca5(AsO4)3Cl
_chemical_formula_sum            'As3 Ca5 Cl O12'
_chemical_formula_weight         652.61
_space_group_IT_number           176
_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_Hall  '-P 6c'
_symmetry_space_group_name_H-M   'P 63/m'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   10.076(1)
_cell_length_b                   10.076(1)
_cell_length_c                   6.807(1)
_cell_measurement_temperature    296(2)
_cell_volume                     598.4(2)
_exptl_crystal_density_diffrn    3.621
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Hexagonal' changed to 'hexagonal'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2005743
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, z+1/2'
'y, -x+y, z+1/2'
'x-y, x, z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'x, y, -z-1/2'
'-y, x-y, -z-1/2'
'-x+y, -x, -z-1/2'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
As1 1 0.40949(5) 0.03079(5) 0.2500 0.0068(2)
Ca1 1 0.3333 0.6667 0.0050(2) 0.0111(2)
Ca2 1 0.26988(10) 0.24976(10) 0.2500 0.0105(2)
Cl1 0.50 0.0000 0.0000 0.1263(5) 0.0218(6)
O1 1 0.1559(4) 0.5081(4) 0.2500 0.0144(7)
O2 1 0.5347(4) 0.3966(3) 0.2500 0.0116(6)
O3 1 0.3511(3) 0.0892(3) 0.0535(4) 0.0174(5)
