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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/1/53/01/1530169.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_1530169
loop_
_publ_author_name
'Kiseleva, I.I.'
'Sirota, M.I.'
'Ozerov, R.P.'
'Balakireva, T.P.'
'Maier, A.A.'
_publ_section_title
;
 Barium-lanthanide double molybdates Ba Ln2 (Mo O4)4. II. Crystal
 structure of Ba Nd2 (Mo O4)4
;
_journal_name_full               Kristallografiya
_journal_page_first              1277
_journal_page_last               1279
_journal_volume                  24
_journal_year                    1979
_chemical_formula_sum            'Ba Mo4 Nd2 O16'
_chemical_name_systematic        'Ba Nd2 (Mo O4)4'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-B 2b'
_symmetry_space_group_name_H-M   'B 1 1 2/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                91.05
_cell_formula_units_Z            4
_cell_length_a                   5.329
_cell_length_b                   19.396
_cell_length_c                   12.804
_cell_volume                     1323.216
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Kiseleva_KRISAJ_1979_639.cif
_cod_data_source_block           Ba1Mo4Nd2O16
_cod_original_sg_symbol_Hall     '-C 2yc (-x,z,y)'
_cod_original_formula_sum        'Ba1 Mo4 Nd2 O16'
_cod_database_code               1530169
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y+1/2,z
-x,-y,-z
x,y-1/2,-z
x+1/2,y,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1/2,-y,-z+1/2
x+1/2,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
O8 O-2 0.36 0.452 0.171 1 0.0
Nd1 Nd+3 0.4978 0.0333 0.3522 1 0.0
O2 O-2 0.114 0.326 0.139 1 0.0
O1 O-2 0.152 0.07 0.239 1 0.0
O7 O-2 0.385 0.171 0.08 1 0.0
Mo1 Mo+6 0.0061 0.3487 0.2601 1 0.0
Mo2 Mo+6 0.4907 0.4076 0.0584 1 0.0
O3 O-2 0.207 0.213 0.304 1 0.0
O4 O-2 0.226 0.106 0.456 1 0.0
O5 O-2 0.258 0.362 0.358 1 0.0
O6 O-2 0.248 0.035 0.014 1 0.0
Ba1 Ba+2 0.5 0.25 0.4678 1 0.0
