#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:44:20 +0100 (mar 22 de mar de 2016) $
#$Revision: 178961 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/90/4119078.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_4119078
loop_
_publ_author_name
'von der Eltz, B.'
'Huppertz, H.'
_publ_section_title
;
 Multianvil high-pressure synthesis of Dy4 B6 O15: the first oxoborate
 with edge-sharing B O4 tetrahedra
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9376
_journal_page_last               9377
_journal_paper_doi               10.1021/ja017691z
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'B6 Dy4 O15'
_chemical_name_systematic        'Dy4 (B6 O15)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 96.703
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.6806
_cell_length_b                   4.3759
_cell_length_c                   18.9153
_cell_volume                     960.212
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            boron4-x_250.cif
_cod_data_source_block           B6Dy4O15
_cod_original_cell_volume        960.2117
_cod_database_code               4119078
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
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
O2 O-2 0.3185 0.2398 0.6377 1 0.0
O7 O-2 0.1275 0.1219 0.4779 1 0.0
O6 O-2 0.4164 -0.1274 0.5695 1 0.0
O4 O-2 0.0128 -0.1759 0.6216 1 0.0
B2 B+3 0.9334 0.7278 0.8059 1 0.0
O1 O-2 0 -0.1341 0.75 1 0.0
O5 O-2 0.9368 0.4017 0.8033 1 0.0
Dy1 Dy+3 0.86198 0.2123 0.696394 1 0.0
B3 B+3 0.3314 -0.307 0.5261 1 0.0
O8 O-2 0.6803 0.3642 0.7033 1 0.0
B1 B+3 0.9011 -0.293 0.5875 1 0.0
O3 O-2 0.2092 0.7075 0.5489 1 0.0
Dy2 Dy+3 0.13125 0.20811 0.597884 1 0.0
