#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/99/1529907.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_1529907
loop_
_publ_author_name
'Engel, G.'
_publ_section_title
;
 Die Kristallstruktur von Cd2 As O4 F und ihre Beziehung zu einer Reihe
 von Oxidsilicaten und Oxidgermanaten der Seltenen Erden
;
_journal_name_full               'Journal of the Less-Common Metals'
_journal_page_first              367
_journal_page_last               374
_journal_volume                  154
_journal_year                    1989
_chemical_formula_sum            'As Cd2 F O4'
_chemical_name_systematic        'Cd2 (As O4) F'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 120.4
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.195
_cell_length_b                   6.847
_cell_length_c                   10.694
_cell_volume                     896.483
_citation_journal_id_ASTM        JCOMAH
_cod_data_source_file            Engel_JCOMAH_1989_1827.cif
_cod_data_source_block           As1Cd2F1O4
_cod_original_cell_volume        896.4827
_cod_original_formula_sum        'As1 Cd2 F1 O4'
_cod_database_code               1529907
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
O4 O-2 0.37 0.2884 0.1436 1 0.0
O1 O-2 0.3062 0.0867 0.5785 1 0.0
Cd2 Cd+2 0.34617 0.39442 0.65118 1 0.0
O3 O-2 0.4175 0.0343 0.3639 1 0.0
Cd1 Cd+2 0.05219 0.26113 0.98996 1 0.0
O2 O-2 0.2046 0.1491 0.1848 1 0.0
F1 F-1 0.0119 0.0896 0.3904 1 0.0
As1 As+5 0.17716 0.40601 0.80698 1 0.0
