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#$Date: 2016-02-16 21:30:59 +0100 (Tue 16 de Feb de 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/90/4119079.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_4119079
loop_
_publ_author_name
'Cox, J.R.'
'Douglas, A.K.'
'Alekel, T.'
'Schaffers, K.I.'
'Thompson, P.D.'
_publ_section_title
;
 New structural class of solid-state oxide
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7068
_journal_page_last               7069
_journal_paper_doi               10.1021/ja00175a056
_journal_volume                  112
_journal_year                    1990
_chemical_formula_sum            'B6 Ho O18 Sc Sr6'
_chemical_name_systematic        'Sr6 (Ho Sc) (B O3)6'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   12.285
_cell_length_b                   12.285
_cell_length_c                   9.268
_cell_volume                     1211.343
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            boron4-x_264.cif
_cod_data_source_block           B6Ho1O18Sc1Sr6
_cod_original_formula_sum        'B6 Ho1 O18 Sc1 Sr6'
_cod_database_code               4119079
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
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 0.6681 0.0731 0.5244 1 0.0
Sr1 Sr+2 0.46772 0.04197 0.6909 1 0.0
B1 B+3 0.1974 0.0567 0.7598 1 0.0
O3 O-2 0.3725 -0.1682 0.8155 1 0.0
Ho2 Ho+3 0 0 0.5 0.08 0.0
Sc2 Sc+3 0 0 0.5 0.92 0.0
Sc1 Sc+3 0 0 0 0.08 0.0
Ho1 Ho+3 0 0 0 0.92 0.0
O2 O-2 0.5512 0.1686 0.9494 1 0.0
