data_global
_chemical_name_mineral 'Flagstaffite'
loop_
_publ_author_name
'Marsh E R'
'Herbstein F H'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 44 
_journal_year 1988
_journal_page_first 77
_journal_page_last 88
_publ_section_title
;
 More space group changes
;
_database_code_amcsd 0009811
_chemical_compound_source 'Chia-Yi, Taiwan'
_chemical_formula_sum 'C10 O3 H22'
_cell_length_a 18.421
_cell_length_b 22.791
_cell_length_c 10.912
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 4581.217
_exptl_crystal_density_diffrn      1.104
_symmetry_space_group_name_H-M 'F d d 2'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2+y,1/2+z'
  '1/2+x,y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/4+x,1/4-y,1/4+z'
  '1/4+x,3/4-y,3/4+z'
  '3/4+x,1/4-y,3/4+z'
  '3/4+x,3/4-y,1/4+z'
  '1/4-x,1/4+y,1/4+z'
  '1/4-x,3/4+y,3/4+z'
  '3/4-x,1/4+y,3/4+z'
  '3/4-x,3/4+y,1/4+z'
  '-x,1/2-y,1/2+z'
  '-x,-y,+z'
  '1/2-x,1/2-y,+z'
  '1/2-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
C1  -0.02370   0.28630   0.03060   0.03950
C2   0.02370   0.21940   0.01500   0.04310
C3   0.05290   0.19580   0.00280   0.04500
C4   0.10180   0.21180   0.10990   0.04310
C5   0.10090   0.27820   0.12680   0.04310
C6   0.02460   0.30280   0.13900   0.05000
C7  -0.10030   0.31280   0.03830   0.04350
C8  -0.09760   0.37960   0.02690   0.06090
C9  -0.14180   0.29530   0.15220   0.06350
O10  -0.14310   0.29110  -0.06320   0.04450
C11   0.17810   0.18870   0.09090   0.06380
O12   0.07310   0.18740   0.22100   0.04680
O13   0.04080   0.07230   0.18270   0.07270
H1  -0.00120   0.30180  -0.04060   0.02900
H21  -0.05480   0.20830  -0.05380   0.05200
H11  -0.04960   0.19990   0.08930   0.05200
H31   0.05280   0.15220  -0.00560   0.04900
H32   0.07360   0.20930  -0.06900   0.03200
H51   0.13320   0.29080   0.19380   0.04600
H52   0.12740   0.29700   0.05290   0.04900
H61   0.02730   0.34720   0.14350   0.06100
H62   0.00280   0.28990   0.21440   0.03800
H81  -0.07250   0.39760   0.09090   0.07100
H82  -0.07280   0.39090  -0.05380   0.07700
H83  -0.14680   0.39410   0.02430   0.04600
H91  -0.14190   0.25080   0.15590   0.08900
H92  -0.12060   0.31050   0.22380   0.08400
H93  -0.19280   0.31040   0.14090   0.08600
H10  -0.12420   0.30220  -0.12060   0.05300
H111   0.20070   0.20450   0.01790   0.05400
H112   0.17570   0.14630   0.08500   0.06100
H113   0.20840   0.20250   0.15090   0.06100
H12   0.06700   0.15270   0.21060   0.06100
H131   0.06310   0.04310   0.19010   0.08100
H132  -0.00410   0.06580   0.18630   0.10100