#------------------------------------------------------------------------------
#$Date: 2015-10-10 01:29:05 +0200 (Sat, 10 Oct 2015) $
#$Revision: 163826 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/61/1536197.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_1536197
loop_
_publ_author_name
'Joergens, S.'
'Mewis, A.'
_publ_section_title
;
 Die Kristallstrukturen von Hexachalcogeno-Hypodiphosphaten des Magnesiums
 und Zinks
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              51
_journal_page_last               57
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'Mg2 P2 Se6'
_chemical_name_systematic        'Mg2 (P2 Se6)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.404
_cell_length_b                   6.404
_cell_length_c                   20.194
_cell_volume                     717.225
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Joergens_ZAACAB_2004_1051.cif
_cod_data_source_block           Mg2P2Se6
_cod_original_cell_volume        717.2253
_cod_database_code               1536197
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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
Mg1 Mg+2 0 0 0.16788 1 0.0
Se1 Se-2 0.3293 -0.00624 0.08174 1 0.0
P1 P+4 0 0 0.44516 1 0.0
