#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/61/1536182.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_1536182
loop_
_publ_author_name
'Joergens, S.'
'Mewis, A.'
'Hoffmann, R.D.'
'Poettgen, R.'
'Mosel, B.D.'
_publ_section_title
;
 Neue Hexachalkogeno-hypodiphosphate der Erdalkalimetalle und des
 Europiums
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              429
_journal_page_last               433
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Ca2 P2 Se6'
_chemical_name_systematic        'Ca2 (P2 Se6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.02
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.664
_cell_length_b                   7.519
_cell_length_c                   6.859
_cell_volume                     498.090
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Joergens_ZAACAB_2003_818.cif
_cod_data_source_block           Ca2P2Se6
_cod_original_cell_volume        498.09
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1536182
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
Se3 Se-2 0.06272 0.18931 0.6624 1 0.0
Se2 Se-2 0.95054 0.2974 0.1744 1 0.0
Ca1 Ca+2 0.247 0.3877 0.9613 1 0.0
Se1 Se-2 0.26426 0.5117 0.3791 1 0.0
P1 P+4 0.0636 0.393 0.4359 1 0.0
