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#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/07/1510774.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_1510774
loop_
_publ_author_name
'Classe, M.'
'Mascetti, J.'
'Fouassier, C.'
_publ_section_title
;
 The crystal chemistry of the new rare-earth sodium borates Na3 Ln (B O2)3
 (Ln = La, Nd)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              288
_journal_page_last               293
_journal_paper_doi               10.1016/0022-4596(81)90262-0
_journal_volume                  39
_journal_year                    1981
_chemical_formula_sum            'B2 Na3 Nd O6'
_chemical_name_systematic        'Na3 Nd (B O3)2'
_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                 122.27
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.618
_cell_length_b                   8.81
_cell_length_c                   12.113
_cell_volume                     597.158
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            boron_270.cif
_cod_data_source_block           B2Na3Nd1O6
_cod_original_cell_volume        597.1581
_cod_original_formula_sum        'B2 Na3 Nd1 O6'
_cod_database_code               1510774
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
B2 B+3 0.418 0.5986 0.1389 1 0.0
Na2 Na+1 0.1818 0.2369 0.1572 1 0.0
O3 O-2 0.1984 0.5801 0.3834 1 0.0
O2 O-2 0.011 0.3639 0.2515 1 0.0
Na1 Na+1 0.4179 0.8107 0.3969 1 0.0
Nd1 Nd+3 0.01416 0.11353 0.35406 1 0.0
O6 O-2 0.3847 0.1015 0.3687 1 0.0
O5 O-2 0.2503 0.4815 0.0838 1 0.0
O1 O-2 0.1751 0.3467 0.4805 1 0.0
O4 O-2 0.3775 0.7105 0.2048 1 0.0
Na3 Na+1 0.387 0.9378 0.1068 1 0.0
B1 B+3 0.1295 0.4325 0.3743 1 0.0
