#------------------------------------------------------------------------------
#$Date: 2016-02-14 05:40:26 +0100 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/51/11/1511173.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_1511173
loop_
_publ_author_name
'Kaminskii, A.A.'
'Mill', B.V.'
'Belokoneva, E.L.'
'Butashin, A.V.'
_publ_section_title
;
 Polymorphism of Ln B Ge O5 compounds
;
_journal_name_full
'Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy'
_journal_page_first              1700
_journal_page_last               1707
_journal_volume                  27
_journal_year                    1991
_chemical_formula_sum            'B Ge Nd O5'
_chemical_name_systematic        'Nd (B Ge O5)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.98
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.048
_cell_length_b                   7.61
_cell_length_c                   4.964
_cell_volume                     379.347
_citation_journal_id_ASTM        IVNMAW
_cod_data_source_file            boron0-1_279.cif
_cod_data_source_block           B1Ge1Nd1O5
_cod_original_sg_symbol_Hall     '-P 2ybc (z,y,-x)'
_cod_original_formula_sum        'B1 Ge1 Nd1 O5'
_cod_database_code               1511173
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
-x,-y,-z
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
O2 O-2 0.0637 0.2142 0.3396 1 0.0
O3 O-2 0.2969 0.16 0.2967 1 0.0
O5 O-2 0.8504 0.08 0.6777 1 0.0
B1 B+3 0.1682 0.0954 0.4561 1 0.0
Nd1 Nd+3 0.67959 0.10838 0.00572 1 0.0
Ge1 Ge+4 0.57579 0.76627 0.47248 1 0.0
O1 O-2 0.1884 0.1047 0.7367 1 0.0
O4 O-2 0.4722 0.0888 0.7762 1 0.0
