#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/75/1527576.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_1527576
loop_
_publ_author_name
'Ivanov, A.'
'Simonov, M.A.'
'Belov, N.'
_publ_section_title
;
 Kristallicheskaya struktura Cd-khlorapatita Cd5 (P O4)3 Cl
;
_journal_name_full
'Zhurnal Strukturnoi Khimii (Issue-No. from 1981)'
_journal_page_first              375
_journal_page_last               378
_journal_volume                  17
_journal_year                    1976
_chemical_formula_sum            'Cd5 Cl O12 P3'
_chemical_name_systematic        'Cd5 (P O4)3 Cl'
_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                   9.625
_cell_length_b                   9.625
_cell_length_c                   6.504
_cell_volume                     521.810
_citation_journal_id_ASTM        ZSTKAI
_cod_data_source_file            Ivanov_ZSTKAI_1976_760.cif
_cod_data_source_block           Cd5Cl1O12P3
_cod_original_cell_volume        521.8103
_cod_original_formula_sum        'Cd5 Cl1 O12 P3'
_cod_database_code               1527576
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
O1 O-2 0.5016 0.3462 0.25 1 0.0
P1 P+5 0.3762 0.4035 0.25 1 0.0
O3 O-2 0.261 0.3438 0.0631 1 0.0
Cd2 Cd+2 0.3333 0.6666 -0.0044 1 0.0
Cd1 Cd+2 0.2537 -0.0141 0.25 1 0.0
Cl1 Cl-1 0 0 0.25 1 0.0
O2 O-2 0.4589 0.5882 0.25 1 0.0
