data_global
_chemical_name_mineral 'Cerchiaraite-(Fe)'
loop_
_publ_author_name
'Kampf A R'
'Roberts A C'
'Venance K E'
'Carbone C'
'Belmonte D'
'Dunning G E'
'Walstrom R E'
_journal_name_full 'Mineralogical Magazine'
_journal_volume 77 
_journal_year 2013
_journal_page_first 69
_journal_page_last 80
_publ_section_title
;
 Cerchiaraite-(Fe) and cerchiaraite-(Al), two new barium cyclosilicate chlorides
 from Italy and California, USA
;
_database_code_amcsd 0019795
_chemical_compound_source 'Esquire No. 8 claim, Big Creek, Fresno County, California, USA'
_chemical_formula_sum 'Ba4 (Fe2.384 Al1.616) Si6.04 Cl2.68 O25.12 H8.16'
_cell_length_a 14.3554
_cell_length_b 14.3554
_cell_length_c 6.0065
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1237.805
_exptl_crystal_density_diffrn      3.758
_symmetry_space_group_name_H-M 'I 4/m m m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '-y,-x,z'
  '1/2-y,1/2-x,1/2+z'
  'y,x,-z'
  '1/2+y,1/2+x,1/2-z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,-y,z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,-z'
  '1/2-x,1/2+y,1/2-z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  'y,x,z'
  '1/2+y,1/2+x,1/2+z'
  '-y,-x,-z'
  '1/2-y,1/2-x,1/2-z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,y,z'
  '1/2-x,1/2+y,1/2+z'
  'x,-y,-z'
  '1/2+x,1/2-y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Ba   0.21637   0.00000   0.00000   1.00000   0.02750
FeM   0.25000   0.25000   0.25000   0.59600   0.01900
AlM   0.25000   0.25000   0.25000   0.40400   0.01900
Si1   0.38855   0.38855   0.00000   1.00000   0.01650
Si2   0.41830   0.11210   0.00000   0.25500   0.02700
Cl1   0.00000   0.00000   0.00000   1.00000   0.02790
Cl2   0.50000   0.13880   0.11800   0.21000   0.08200
O1   0.34600   0.34600   0.22680   1.00000   0.02180
O2   0.17660   0.30760   0.00000   0.50000   0.02930
O-H2   0.17660   0.30760   0.00000   0.50000   0.02930
O3   0.36860   0.50000   0.00000   1.00000   0.02560
O4   0.39400   0.00000   0.00000   0.24000   0.03600
O-H5   0.50000   0.12600   0.24700   0.52000   0.13900
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
Ba 0.03490 0.02220 0.02540 0.00000 0.00000 0.00000
FeM 0.02070 0.02070 0.01560 -0.00750 0.00010 0.00010
AlM 0.02070 0.02070 0.01560 -0.00750 0.00010 0.00010
Si1 0.01640 0.01640 0.01670 -0.00100 0.00000 0.00000
Si2 0.04100 0.01900 0.02300 0.00600 0.00000 0.00000
Cl1 0.02400 0.02400 0.03600 0.00000 0.00000 0.00000
Cl2 0.03700 0.07300 0.14000 0.00000 0.00000 -0.04200
O1 0.02540 0.02540 0.01500 -0.00500 0.00180 0.00180
O2 0.02600 0.03900 0.02400 -0.00900 0.00000 0.00000
O-H2 0.02600 0.03900 0.02400 -0.00900 0.00000 0.00000
O3 0.03700 0.01100 0.02800 0.00000 0.00000 0.00000
O4 0.04000 0.01600 0.05000 0.00000 0.00000 0.00000
O-H5 0.22000 0.10000 0.09000 0.00000 0.00000 -0.07400