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#$Date: 2015-10-09 11:17:17 +0200 (Fri, 09 Oct 2015) $
#$Revision: 161451 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/45/1534595.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_1534595
loop_
_publ_author_name
'Schlieper, T.'
'Schnick, W.'
_publ_section_title
;
 Nitrodisilicate. III : Hochtemperatur-Synthese, Kristallstruktur und
 magnetische Eigenschaften von Ce3 (Si6 N11)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1535
_journal_page_last               1538
_journal_volume                  621
_journal_year                    1995
_chemical_formula_sum            'Ce3 N11 Si6'
_chemical_name_systematic        'Ce3 (Si6 N11)'
_space_group_IT_number           100
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.142
_cell_length_b                   10.142
_cell_length_c                   4.844
_cell_volume                     498.255
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Schlieper_ZAACAB_1995_1758.cif
_cod_data_source_block           Ce3N11Si6
_cod_original_cell_volume        498.2546
_cod_database_code               1534595
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+1/2,z
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
N2 N-3 0.65359 0.15359 0.9553 1 0.0
N4 N-3 0.5 0 0.5792 1 0.0
Si1 Si+4 0.07816 0.20976 0.1128 1 0.0
Ce1 Ce+3 0.31889 0.18111 0.6308 1 0.0
N3 N-3 -0.08144 0.17804 0.0056 1 0.0
N1 N-3 0.07401 0.2288 0.4723 1 0.0
Si2 Si+4 0.61735 0.11735 0.6037 1 0.0
Ce2 Ce+3 0 0 0.64617 1 0.0
