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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/25/7222546.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_7222546
loop_
_publ_author_name
'Berger, U.'
'Schultz-Coulon, V.'
'Schnick, W.'
_publ_section_title
;
 Ca2 Sr (W N4), das erste gemischte Erdalkalimetall-nitridowolframat
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              213
_journal_page_last               216
_journal_volume                  50
_journal_year                    1995
_chemical_formula_sum            'Ca2 N4 Sr W'
_chemical_name_systematic        'Ca2 Sr (W N4)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.177
_cell_length_b                   9.344
_cell_length_c                   11.318
_cell_volume                     1076.273
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Berger_ZNBSEN_1995_1716.cif
_cod_data_source_block           Ca2N4Sr1W1
_cod_original_formula_sum        'Ca2 N4 Sr1 W1'
_cod_database_code               7222546
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-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
Ca1 Ca+2 0.0303 -0.1329 0.1444 1 0.0
N1 N-3 0.4979 0.1093 0.2703 1 0.0
N4 N-3 0.1642 0.0516 0.0055 1 0.0
N3 N-3 0.2589 -0.2074 0.177 1 0.0
N2 N-3 0.508 -0.1799 0.031 1 0.0
Sr1 Sr+2 0.2774 0.1871 0.3828 1 0.0
Ca2 Ca+2 0.3778 0.0275 0.1015 1 0.0
W1 W+6 -0.1015 -0.1921 -0.1125 1 0.0
