#------------------------------------------------------------------------------
#$Date: 2024-08-03 10:56:24 +0300 (Sat, 03 Aug 2024) $
#$Revision: 293656 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/02/9010291.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_9010291
loop_
_publ_author_name
'Echigo, T.'
'Kimata, M.'
'Maruoka, T.'
_publ_section_title
;Crystal-chemical and carbon-isotopic characteristics of karpatite (C24H12)
 from the Picacho Peak Area, San Benito County, California: Evidences for the
 hydrothermal formation Locality: Picacho Peak Area, San Benito County,
 California, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1262
_journal_page_last               1269
_journal_paper_doi               10.2138/am.2007.2509
_journal_volume                  92
_journal_year                    2007
_chemical_formula_sum            'C24 H12'
_chemical_name_mineral           Carpathite/Karpalite?
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yab'
_symmetry_space_group_name_H-M   'P 1 21/a 1'
_cell_angle_alpha                90
_cell_angle_beta                 110.79
_cell_angle_gamma                90
_cell_length_a                   16.094
_cell_length_b                   4.690
_cell_length_c                   10.049
_cell_formula_units_Z            2
_cell_volume                     709.119
_cod_data_source_file            04410.cif
_cod_data_source_block           global
_cod_depositor_comments
;

2024-05-06
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum        'C2 H1'
_cod_database_code               9010291
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2-y,z
1/2-x,1/2+y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
C1 -0.11918 -0.40560 0.03800 0.05167
C2 -0.11210 -0.48000 0.17710 0.06307
C3 -0.04970 -0.36200 0.29250 0.06675
C4 0.01212 -0.15890 0.27700 0.05307
C5 0.08020 -0.03470 0.39490 0.06637
C6 0.13760 0.15960 0.37600 0.06624
C7 0.13206 0.24550 0.23790 0.05180
C8 0.19130 0.45030 0.21710 0.06345
C9 0.18360 0.52660 0.08270 0.06269
C10 -0.05971 -0.20260 0.01830 0.04331
C11 0.00580 -0.08030 0.13760 0.04255
C12 0.06586 0.12070 0.12010 0.04179
H2 -0.15410 -0.62100 0.19000 0.08106
H3 -0.04620 -0.41000 0.39100 0.09626
H5 0.08450 -0.08500 0.49200 0.09499
H6 0.18580 0.24800 0.46300 0.09119
H8 0.24080 0.53000 0.30700 0.11019
H9 0.22520 0.66700 0.06900 0.07219
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0004412
2 AMCSD 0004413
loop_
_[local]_alternative_name_id
_[local]_alternative_name_type
_[local]_alternative_name_source
_[local]_alternative_name_source_id
_[local]_alternative_name_value
1 mineral AMCSD 0004412 "Carpathite"
2 mineral AMCSD 0004413 "Karpatite"
_database_code_amcsd 0004412
