#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/94/7209470.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_7209470
loop_
_publ_author_name
'Schleid, T.'
'Mueller-Bunz, H.'
'Nikelski, T.'
_publ_section_title
;
 Einkristalle des Neodym(III)-meta-Borats Nd (B O2)3 und -ortho-Borats Nd
 (B O3)
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische
 Chemie (42,1987-)
;
_journal_page_first              375
_journal_page_last               380
_journal_volume                  58
_journal_year                    2003
_chemical_formula_sum            'B Nd O3'
_chemical_name_systematic        'Nd (B O3)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.7351
_cell_length_b                   5.0564
_cell_length_c                   8.0916
_cell_volume                     234.648
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            boron0-1_379.cif
_cod_data_source_block           B1Nd1O3
_cod_original_formula_sum        'B1 Nd1 O3'
_cod_database_code               7209470
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-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
O2 O-2 0.4122 0.0156 0.3238 1 0.0
O1 O-2 0.4023 0.25 0.0684 1 0.0
B1 B+3 0.4187 0.25 0.2379 1 0.0
Nd1 Nd+3 0.25794 0.25 0.58465 1 0.0
