data_global
_chemical_name_mineral 'Rodalquilarite'
loop_
_publ_author_name
'Feger C R'
'Kolis J W'
'Gorny K'
'Pennington C'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 143 
_journal_year 1999
_journal_page_first 254
_journal_page_last 259
_publ_section_title
;
 Rodalquilarite revisited: the hydrothermal synthesis and structural
 reinvestigation of H3Fe2(TeO3)4Cl
;
_database_code_amcsd 0013969
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'H3 Fe2 Te4 O12 Cl'
_cell_length_a 5.103
_cell_length_b 6.653
_cell_length_c 9.012
_cell_angle_alpha 73.40
_cell_angle_beta 78.03
_cell_angle_gamma 76.76
_cell_volume 282.090
_exptl_crystal_density_diffrn      5.019
_symmetry_space_group_name_H-M 'P -1'
loop_
_space_group_symop_operation_xyz
  'x,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
H1   0.44340   0.44430   0.80800   0.09000
H2   0.00000   0.50000   0.00000   0.09000
Fe   0.27610  -0.14520   0.55600   0.00730
Te1   0.11979   0.34044   0.68799   0.00750
Te2   0.33835   0.16583   0.16942   0.00880
O1   0.19300   0.59240   0.53850   0.00900
O2   0.36300   0.13710   0.58370   0.01200
O3   0.40500   0.31640   0.80560   0.01300
O4   0.54300   0.28570   0.26100   0.01300
O5   0.11300   0.03790   0.35520   0.01000
O6   0.09800   0.42710   0.12670   0.01500
Cl   0.00000   0.00000   0.00000   0.01760