#------------------------------------------------------------------------------
#$Date: 2025-08-19 11:01:59 +0100 (Tue, 19 Aug 2025) $
#$Revision: 301802 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/08/2100843.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_2100843
loop_
_publ_author_name
'McMullan, R. K.'
'Kvick, \%A.'
'Popelier, P.'
_publ_section_title
;
 Structures of cubic and orthorhombic phases of acetylene by
 single-crystal neutron diffraction
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              726
_journal_page_last               731
_journal_paper_doi               10.1107/S0108768192004774
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C2 D2'
_chemical_formula_weight         28
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'A c a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.198(4)
_cell_length_b                   6.023(4)
_cell_length_c                   5.578(2)
_cell_volume                     208.2(2)
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.0402
_exptl_crystal_density_diffrn    0.8950(10)
_exptl_crystal_F_000             106
_cod_data_source_file            cr0402.cif
_cod_data_source_block           cr0402d
_cod_original_cell_volume        208.2(3)
_cod_database_code               2100843
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C .0621(5) .0756(5) .0
D .1709(6) .2135(6) .0
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
C C 1.193(6)
C H 1.070(5)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 136829