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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/09/1520911.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_1520911
loop_
_publ_author_name
'Bruls, R.J.'
'Loong, C.-K.'
'Metselaar, R.'
'Hintzen, H.T.'
_publ_section_title
;
 Anisotropic thermal expansion of Mg Si N2 from 10 to 300 K as measured by
 neutron diffraction
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1285
_journal_page_last               1293
_journal_volume                  61
_journal_year                    2000
_chemical_formula_sum            'Mg N2 Si'
_chemical_name_systematic        'Mg Si N2'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.27078
_cell_length_b                   6.46916
_cell_length_c                   4.98401
_cell_volume                     169.942
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Bruls_JPCSAW_2000_1621.cif
_cod_data_source_block           Mg1N2Si1
_cod_original_cell_volume        169.9424
_cod_original_formula_sum        'Mg1 N2 Si1'
_cod_database_code               1520911
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-y+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
N1 N-3 0.04855 0.09562 0.3472 1 0.0
N2 N-3 0.10859 0.65527 0.4102 1 0.0
Si1 Si+4 0.0693 0.1249 0 1 0.0
Mg1 Mg+2 0.08448 0.62255 -0.0134 1 0.0
