data_global
_chemical_name_mineral 'Liebauite'
loop_
_publ_author_name
'Zoller M H'
'Tillmanns E'
'Hentschel G'
_journal_name_full 'Zeitschrift fur Kristallographie'
_journal_volume 200 
_journal_year 1992
_journal_page_first 115
_journal_page_last 126
_publ_section_title
;
 Liebauite, Ca3Cu5Si9O26: A new silicate mineral with 14er single chain
;
_database_code_amcsd 0011017
_chemical_compound_source 'Sattelberg scoria cone, Kruft, Eifel district, Germany'
_chemical_formula_sum 'Ca3 Cu5 Si9 O26'
_cell_length_a 10.160
_cell_length_b 10.001
_cell_length_c 19.9730
_cell_angle_alpha 90
_cell_angle_beta 91.56
_cell_angle_gamma 90
_cell_volume 2028.708
_exptl_crystal_density_diffrn      3.623
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-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
Ca1   0.50000   0.22510   0.25000   0.00367
Ca2   0.97250   0.26410   0.42970   0.00608
Cu1   0.25000   0.25000   0.50000   0.00773
Cu2   0.23120   0.25810   0.33910   0.00760
Cu3   0.97040   0.01050   0.32840   0.00709
Si1   0.99670   0.75450   0.41170   0.00532
Si2   0.19870   0.54510   0.40660   0.00570
Si3   0.22750   0.53480   0.69600   0.00709
Si4   0.00000   0.72000   0.75000   0.00595
Si5   0.28540   0.53480   0.55110   0.00317
O1   0.09020   0.64690   0.37210   0.01077
O2   0.91350   0.82930   0.35260   0.00621
O3   0.95830   0.80670   0.68420   0.00304
O4   0.91410   0.68540   0.46720   0.00950
O5   0.18860   0.38300   0.70890   0.00697
O6   0.15700   0.39190   0.39540   0.00823
O7   0.37860   0.57160   0.71610   0.00836
O8   0.18890   0.57680   0.48820   0.00304
O9   0.19570   0.57690   0.61590   0.00646
O10   0.12860   0.62770   0.73860   0.00747
O11   0.34200   0.38610   0.55470   0.00481
O12   0.59470   0.35960   0.45160   0.00887
O13   0.15720   0.08970   0.11510   0.01140