data_global
_chemical_name_mineral 'Gorceixite'
loop_
_publ_author_name
'Dzikowski T J'
'Groat L A'
'Jambor J L'
_journal_name_full 'The Canadian Mineralogist'
_journal_volume 44 
_journal_year 2006
_journal_page_first 951
_journal_page_last 958
_publ_section_title
;
 The symmetry and crystal structure of gorceixite, BaAl3[PO3(O,OH)]2(OH)6, a
 member of the alunite supergroup
;
_database_code_amcsd 0006097
_chemical_compound_source 'Rapid Creek area, Yukon Territory, Canada'
_chemical_formula_sum 'Ba.882 Al3 P2 O14 H7'
_cell_length_a 7.0538
_cell_length_b 7.0538
_cell_length_c 17.2746
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 744.363
_exptl_crystal_density_diffrn      3.313
_symmetry_space_group_name_H-M 'R -3 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'x,x-y,z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '-x+y,y,z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '-y,-x,z'
  '2/3-y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-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
BaA   0.00000   0.00000   0.50000   0.88200   0.01340
AlG   0.50000   0.00000   0.00000   1.00000   0.01470
P5+T   0.00000   0.00000   0.19870   1.00000   0.01550
O1   0.54770   0.45230   0.10550   1.00000   0.01590
O2   0.00000   0.00000   0.10820   0.50000   0.02000
O-H2   0.00000   0.00000   0.10820   0.50000   0.02000
O-h3   0.46000   0.54000   0.30580   1.00000   0.01720
H3   0.53000   0.47000   0.27800   1.00000   0.13000
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
BaA 0.01190 0.01190 0.01650 0.00590 0.00000 0.00000
AlG 0.01010 0.01040 0.02380 0.00520 0.00050 0.00100
P5+T 0.00990 0.00990 0.02700 0.00490 0.00000 0.00000
O1 0.01300 0.01300 0.02600 0.01000 -0.00070 0.00070
O2 0.01800 0.01800 0.02300 0.00900 0.00000 0.00000
O-H2 0.01800 0.01800 0.02300 0.00900 0.00000 0.00000
O-h3 0.01100 0.01100 0.02600 0.00400 0.00260 -0.00260