#------------------------------------------------------------------------------
#$Date: 2015-10-05 12:12:17 +0300 (Mon, 05 Oct 2015) $
#$Revision: 159765 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/35/1533516.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_1533516
loop_
_publ_author_name
'Takahashi, J.'
'Hirosaki, N.'
'Shimada, M.'
'Yamamoto, Y.'
'Yamane, H.'
'Mitomo, M.'
'Oikawa, K.'
'Torii, S.'
'Kamiyama, T.'
_publ_section_title
;
 Crystal structure of Lu4 Si2 O7 N2 analyzed by the Rietveld method using
 the time-of-flight neutron powder diffraction pattern
;
_journal_name_full               'Journal of the American Ceramic Society'
_journal_page_first              2072
_journal_page_last               2077
_journal_volume                  85
_journal_year                    2002
_chemical_formula_sum            'Lu4 N2 O7 Si2'
_chemical_name_systematic        'Lu4 Si2 O7 N2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 109.773
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.4243
_cell_length_b                   10.2728
_cell_length_c                   10.6628
_cell_volume                     765.286
_citation_journal_id_ASTM        JACTAW
_cod_data_source_file            Takahashi_JACTAW_2002_357.cif
_cod_data_source_block           Lu4N2O7Si2
_cod_original_cell_volume        765.2861
_cod_database_code               1533516
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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
N3 N-3 0.2138 0.0289 0.16 0.17 0.0
N5 N-3 0.7015 0.0291 0.1666 0.41 0.0
Lu3 Lu+3 0.5198 0.1007 0.7856 1 0.0
Lu1 Lu+3 0.8373 0.122 0.4148 1 0.0
O8 O-2 0.5677 0.0147 0.3926 0.98 0.0
N1 N-3 0.4335 0.2377 0.1141 0.97 0.0
N7 N-2 0.5677 0.0147 0.3926 0.02 0.0
Si1 Si+4 0.2303 0.1833 0.1305 1 0.0
O2 O-2 0.2259 0.2315 0.7635 0.76 0.0
O1 O-2 0.4335 0.2377 0.1141 0.03 0.0
Lu2 Lu+3 0.3343 0.1205 0.4316 1 0.0
O4 O-2 0.0682 0.2272 0.9887 0.84 0.0
Si2 Si+4 0.6497 0.1828 0.1157 1 0.0
O9 O-2 0.077 -0.0017 0.3982 1 0.0
N4 N-3 0.0682 0.2272 0.9887 0.16 0.0
N6 N-3 0.6542 0.2212 0.9689 0.06 0.0
O6 O-2 0.7015 0.0291 0.1666 0.59 0.0
Lu4 Lu+3 0.0262 0.0876 0.809 1 0.0
O3 O-2 0.2138 0.0289 0.16 0.83 0.0
O7 O-2 0.6542 0.2212 0.9689 0.94 0.0
O5 O-2 0.7891 0.2309 0.7406 1 0.0
N2 N-3 0.2259 0.2315 0.7635 0.24 0.0
