#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/09/2310923.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_2310923
loop_
_publ_author_name
'Nordman, C.E.'
_publ_section_title
;
 The Crystal Structure of (H2 N)3 P B H3
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              535
_journal_page_last               539
_journal_volume                  13
_journal_year                    1960
_chemical_formula_sum            'B H9 N3 P'
_chemical_name_systematic        '(H2 N)3 P B H3'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.3
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.414
_cell_length_b                   9.492
_cell_length_c                   6.227
_cell_volume                     547.463
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Nordman_ACCRA9_1960_1001.cif
_cod_data_source_block           H9B1N3P1
_cod_original_cell_volume        547.4634
_cod_original_formula_sum        'H9 B1 N3 P1'
_cod_database_code               2310923
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-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
H9 H+1 0.155 -0.058 0.433 1 0.0
H3 H+1 0.2 -0.033 -0.163 1 0.0
H5 H+1 0.392 0.195 0.027 1 0.0
H7 H+1 0.34 -0.13 0.44 1 0.0
H2 H+1 0.033 0.14 0.1 1 0.0
N2 N-3 0.2053 -0.0714 -0.0265 1 0.0
N1 N-3 0.1286 0.1682 0.0852 1 0.0
H4 H+1 0.23 -0.147 -0.008 1 0.0
B1 B-3 0.2686 -0.0458 0.4405 1 0.0
H8 H+1 0.293 0.04 0.573 1 0.0
P1 P+3 0.2515 0.0464 0.1685 1 0.0
H6 H+1 0.458 0.087 0.267 1 0.0
H1 H+1 0.137 0.253 0.177 1 0.0
N3 N-3 0.4009 0.1377 0.1626 1 0.0
