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#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/12/1511285.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_1511285
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_paper_doi               10.1016/0025-5408(77)90142-8
_journal_volume                  12
_journal_year                    1977
_chemical_formula_sum            'B O3 Y'
_chemical_name_systematic        'Y (B O3)'
_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                   6.544
_cell_length_b                   6.544
_cell_length_c                   8.81
_cell_volume                     326.733
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            boron0-1_411.cif
_cod_data_source_block           B1O3Y1
_cod_original_cell_volume        326.7331
_cod_original_sg_symbol_Hall     'P -2y (z,x,y)'
_cod_original_formula_sum        'B1 O3 Y1'
_cod_database_code               1511285
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
O8 O-2 0.885 0.885 0 1 0.0
B3 B+3 0.904 0.6667 0 1 0.0
Y2 Y+3 0.3333 0.6667 0.25 1 0.0
O6 O-2 0.3333 0 0.655 1 0.0
B5 B+3 0 0.429 0.5 1 0.0
O1 O-2 0.6667 0 0.155 1 0.0
B2 B+3 0.429 0.429 0 1 0.0
Y3 Y+3 0.6667 0.3333 0.25 1 0.0
O12 O-2 0.782 0.448 0.5 1 0.0
O5 O-2 0 0.3333 0.655 1 0.0
O10 O-2 0.219 0.6667 0.5 1 0.0
O2 O-2 0.3333 0.3333 0.155 1 0.0
O11 O-2 0 0.885 0.5 1 0.0
O7 O-2 0.6667 0.448 0 1 0.0
Y1 Y+3 0 0 0.25 1 0.0
B1 B+3 0.6667 0.904 0 1 0.0
O9 O-2 0.448 0.6667 0 1 0.0
O3 O-2 0 0.6667 0.155 1 0.0
B6 B+3 0.238 0.904 0.5 1 0.0
O4 O-2 0.6667 0.6667 0.655 1 0.0
B4 B+3 0.763 0.6667 0.5 1 0.0
