#------------------------------------------------------------------------------
#$Date: 2025-08-18 17:14:33 +0200 (Mon, 18 Aug 2025) $
#$Revision: 301778 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/56/1535674.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_1535674
loop_
_publ_author_name
'Huebschle, C.B.'
'Luger, P.'
'Messerschmidt, M.'
'Lentz, D.'
_publ_section_title
;
 Neubestimmung der Ladungsdichte und topologische Analyse von beta-Diboran
 bei 94 K
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              1313
_journal_page_last               1316
_journal_volume                  630
_journal_year                    2004
_chemical_formula_sum            'B2 H6'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 105.438
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.4043
_cell_length_b                   6.5007
_cell_length_c                   5.7517
_cell_volume                     158.735
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Huebschle_ZAACAB_2004_1522.cif
_cod_data_source_block           H6B2
_cod_original_cell_volume        158.7354
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'H6 B2'
_cod_database_code               1535674
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
H3 H+1 1.212 0.507 0.806 1 0.0
H1 H+1 1.12 0.374 0.479 1 0.0
H2 H+1 0.797 0.354 0.669 1 0.0
B1 B-3 1.00205 0.45871 0.64507 1 0.0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 12544637
