#------------------------------------------------------------------------------
#$Date: 2024-05-09 10:47:05 +0200 (Thu 09 de May de 2024) $
#$Revision: 291792 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/12/9011267.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_9011267
loop_
_publ_author_name
'Petricek, V.'
'Cisarova, I.'
'Hummel, L.'
'Kroupa, J.'
'Brezina, B.'
_publ_section_title
;
 Oriental disorder in phenanthrene. Structure determination at 248, 295, 339
 and 344 K
 Locality: synthetic
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica, Section B'
_journal_page_first              830
_journal_page_last               832
_journal_paper_doi               10.1107/S0108768190007510
_journal_volume                  46
_journal_year                    1990
_chemical_formula_sum            'C14 H10'
_chemical_name_mineral           Ravatite
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 97.96
_cell_angle_gamma                90
_cell_length_a                   8.441
_cell_length_b                   6.140
_cell_length_c                   9.438
_cell_formula_units_Z            2
_cell_volume                     484.437
_exptl_crystal_density_diffrn    1.153
_cod_database_code               9011267
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,1/2+y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_attached_hydrogens
C1 0.16680 0.09920 -0.30380 0.07590 1
C2 0.07510 -0.07000 -0.35500 0.08420 1
C3 0.03680 -0.23100 -0.26480 0.07580 1
C4 0.09450 -0.22500 -0.12130 0.06430 1
C5 0.22890 -0.20100 0.18600 0.08810 1
C6 0.29480 -0.18100 0.32720 0.08520 1
C7 0.38670 -0.00100 0.37540 0.09040 1
C8 0.41220 0.15700 0.28130 0.08310 1
C9 0.37830 0.30900 0.03640 0.07030 1
C10 0.32050 0.29400 -0.10260 0.06610 1
C11 0.22630 0.11300 -0.15620 0.05790 0
C12 0.19080 -0.05500 -0.06390 0.04910 0
C13 0.25510 -0.04070 0.08690 0.05290 0
C14 0.34890 0.14300 0.13510 0.05950 0
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 970
