#------------------------------------------------------------------------------
#$Date: 2012-02-03 10:00:22 +0200 (Fri, 03 Feb 2012) $
#$Revision: 1973 $
#$URL: svn://www.crystallography.net/cod-tools/tests/inputs/2101499-diamond.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_2101499
loop_
_publ_author_name
'Yamanaka, T.'
'Morimoto, S.'
_publ_section_title
;
 Isotope effect on anharmonic thermal atomic vibration and \k
 refinement of ^12^C and ^3^C diamond
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              232
_journal_page_last               238
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         C1
_chemical_formula_sum            C
_[local]_cod_chemical_formula_sum_orig C1
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m {origin @ centre (-3m)}'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   3.56658(7)
_cell_length_b                   3.56658(7)
_cell_length_c                   3.56658(7)
_cell_volume                     45.381
_diffrn_radiation_type           synchroton
_diffrn_radiation_wavelength     0.69715(3)
_[local]_cod_data_source_file    oh0046.cif
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
C 0.375 0.375 0.375 0.01
_cod_database_code 2101499
