#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/08/2310830.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310830
loop_
_publ_author_name
'Dulmage, W.J.'
'Lipscomb, W.N.'
_publ_section_title
;
 The Crystal and Molecular Structure of Pentaborane
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              260
_journal_page_last               264
_journal_volume                  5
_journal_year                    1952
_chemical_formula_sum            'B5 H9'
_space_group_IT_number           107
_symmetry_space_group_name_Hall  'I 4 -2'
_symmetry_space_group_name_H-M   'I 4 m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.16
_cell_length_b                   7.16
_cell_length_c                   5.38
_cell_volume                     275.809
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Dulmage_ACCRA9_1952_159.cif
_cod_data_source_block           H9B5
_cod_original_cell_volume        275.8089
_cod_original_formula_sum        'H9 B5'
_cod_database_code               2310830
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+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
B1 B+1 0 0 0.202 1 0.0
H2 H-1 0.328 0 0.092 1 0.0
H1 H-1 0 0 0.427 1 0.0
B2 B+2 0.175 0 0 1 0.0
H3 H-1 0.136 0.136 -0.165 1 0.0
