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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/1/52/49/1524954.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_1524954
loop_
_publ_author_name
'Morgan, P.E.D.'
'Carroll, P.J.'
'Lange, F.F.'
_publ_section_title
;
 Crystal structure of Y Si O2 N and a reappraisal of the "vaterite" type,
 Y B O3
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              251
_journal_page_last               260
_journal_volume                  12
_journal_year                    1977
_chemical_formula_sum            'N O2 Si Y'
_chemical_name_systematic        'Y Si N O2'
_space_group_IT_number           6
_symmetry_space_group_name_Hall  'P -2'
_symmetry_space_group_name_H-M   'P 1 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   7.021
_cell_length_b                   7.021
_cell_length_c                   9.1
_cell_volume                     388.481
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Morgan_MRBUAC_1977_132.cif
_cod_data_source_block           N1O2Si1Y1
_cod_original_cell_volume        388.4812
_cod_original_sg_symbol_Hall     'P -2y (z,x,y)'
_cod_original_formula_sum        'N1 O2 Si1 Y1'
_cod_database_code               1524954
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,y,-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
N4 N-2 0.204 0.6667 0.5 1 0.0
O2 O-2 0.318 0.318 0.168 1 0.0
N6 N-2 0.797 0.463 0.5 1 0.0
Si5 Si+3 0 0.398 0.5 1 0.0
O1 O-2 0.6667 0.015 0.168 1 0.0
Si2 Si+3 0.398 0.398 0 1 0.0
N1 N-2 0.6667 0.463 0 1 0.0
N5 N-2 0 0.87 0.5 1 0.0
N2 N-2 0.87 0.87 0 1 0.0
O5 O-2 0 0.318 0.668 1 0.0
O4 O-2 0.652 0.6667 0.668 1 0.0
O3 O-2 0.015 0.6667 0.168 1 0.0
Y2 Y+3 0.3333 0.6667 0.25 1 0.0
Si6 Si+3 0.269 0.935 0.5 1 0.0
Si1 Si+3 0.6667 0.935 0 1 0.0
Si3 Si+3 0.935 0.6667 0 1 0.0
Si4 Si+3 0.732 0.6667 0.5 1 0.0
Y1 Y+3 0 0 0.25 1 0.0
Y3 Y+3 0.6667 0.3333 0.25 1 0.0
O6 O-2 0.349 0.015 0.668 1 0.0
N3 N-2 0.463 0.6667 0 1 0.0
