data_global
_chemical_name_mineral 'Carpathite'
loop_
_publ_author_name
'Echigo T'
'Kimata M'
'Maruoka T'
_journal_name_full 'American Mineralogist'
_journal_volume 92 
_journal_year 2007
_journal_page_first 1262
_journal_page_last 1269
_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
;
_database_code_amcsd 0004412
_chemical_compound_source 'Picacho Peak Area, San Benito County, California, USA'
_chemical_formula_sum 'C2 H'
_cell_length_a 16.094
_cell_length_b 4.690
_cell_length_c 10.049
_cell_angle_alpha 90
_cell_angle_beta 110.79
_cell_angle_gamma 90
_cell_volume 709.119
_exptl_crystal_density_diffrn      1.407
_symmetry_space_group_name_H-M 'P 1 21/a 1'
loop_
_space_group_symop_operation_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_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
C1 0.04900 0.04920 0.05900 0.00760 0.02180 0.00450
C2 0.06800 0.05400 0.08000 0.00750 0.04200 0.01210
C3 0.08400 0.06300 0.06800 0.01820 0.04700 0.02100
C4 0.06800 0.05050 0.04520 0.01780 0.02560 0.00680
C5 0.08500 0.07300 0.03900 0.02000 0.01820 0.00310
C6 0.07100 0.07000 0.05000 0.00910 0.01180 -0.00100
C7 0.05100 0.05480 0.04680 0.00960 0.01360 -0.00040
C8 0.05000 0.05800 0.07900 0.00340 0.01800 -0.01070
C9 0.05200 0.05400 0.08800 -0.00140 0.03190 -0.00400
C10 0.04200 0.03350 0.05700 0.00860 0.02110 0.00640
C11 0.05040 0.04190 0.04400 0.01330 0.02730 0.00770
C12 0.04070 0.04230 0.03900 0.01220 0.01050 0.00350