#------------------------------------------------------------------------------
#$Date: 2016-02-14 05:40:26 +0100 (dom 14 de feb de 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/09/1510941.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_1510941
loop_
_publ_author_name
'Sil'nitskaya, G.B.'
'Medvedev, A.V.'
'Pakhomov, V.I.'
'Dzhurinskii, B.F.'
_publ_section_title
;
 The crystal structure of neodymium metaborate
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              1259
_journal_page_last               1263
_journal_volume                  8
_journal_year                    1972
_chemical_formula_sum            'B3 Nd O6'
_chemical_name_systematic        'Nd (B O2)3'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-I 2yc'
_symmetry_space_group_name_H-M   'I 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.4
_cell_length_b                   8.08
_cell_length_c                   8.03
_cell_volume                     414.236
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            boron_470.cif
_cod_data_source_block           B3Nd1O6
_cod_original_cell_volume        414.2358
_cod_original_sg_symbol_Hall     '-C 2yc (x,y,-x+z)'
_cod_original_formula_sum        'B3 Nd1 O6'
_cod_database_code               1510941
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z+1/2
-x+1/2,y+1/2,-z+1
-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
O3 O-2 0.033 0.849 0.057 1 0.0
B2 B+3 0.103 0.313 0.517 1 0.0
O2 O-2 0.157 0.552 0.161 1 0.0
B1 B+3 0 0.469 0.25 1 0.0
Nd1 Nd+3 0 0.049 0.25 1 0.0
O1 O-2 0.155 0.367 0.346 1 0.0
