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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/06/1530622.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_1530622
loop_
_publ_author_name
'Pushcharovskii, D.Yu.'
'Karpov, O.G.'
'Leonyuk, N.I.'
'Belov, N.V.'
_publ_section_title
;
 Crystal structure of nonstoichiometric Nd, Al-dimetaborate Nd Al2.07 (B4
 O10) O0.6
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              91
_journal_page_last               94
_journal_volume                  241
_journal_year                    1978
_chemical_formula_sum            'Al2.07 B4 Nd O10.6'
_chemical_name_systematic        'Nd Al2.07 (B4 O10) O0.6'
_space_group_IT_number           189
_symmetry_space_group_name_Hall  'P -6 -2'
_symmetry_space_group_name_H-M   'P -6 2 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.588
_cell_length_b                   4.588
_cell_length_c                   9.298
_cell_volume                     169.499
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Pushcharovskii_DANKAS_1978_489.cif
_cod_data_source_block           Al2.07B4Nd1O10.6
_cod_original_cell_volume        169.4989
_cod_original_formula_sum        'Al2.07 B4 Nd1 O10.6'
_cod_database_code               1530622
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+y,-x,-z
-y,x-y,z
x,y,-z
-x+y,-x,z
-y,x-y,-z
y,x,z
x-y,-y,-z
-x,-x+y,z
y,x,-z
x-y,-y,z
-x,-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
O1 O-2 0 0 0.5 0.6 0.0
O3 O-2 0.66667 0.33333 0.375 1 0.0
Al1 Al+3 0.612 0 0.5 0.69 0.0
O2 O-2 0.418 0 0.839 1 0.0
Nd1 Nd+3 0 0 0 1 0.0
B1 B+3 0.66667 0.33333 0.219 1 0.0
