data_global
_chemical_name_mineral 'Holtstamite'
loop_
_publ_author_name
'Halenius U'
'Haussermann U'
'Harryson H'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 17 
_journal_year 2005
_journal_page_first 375
_journal_page_last 382
_publ_section_title
;
 Holtstamite, Ca3(Al,Mn3+)2(SiO4)3-x(H4O4)x, a new tetragonal hydrogarnet
 from Wessels Mine, South Africa
;
_database_code_amcsd 0007101
_chemical_compound_source 'Wessels Mine, South Africa'
_chemical_formula_sum 'Ca3 (Mn1.006 Al.994) Si1.95 O12 H4'
_cell_length_a 12.337
_cell_length_b 12.337
_cell_length_c 11.930
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1815.765
_exptl_crystal_density_diffrn      3.315
_symmetry_space_group_name_H-M 'I 41/a c d'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  '1/4-y,3/4-x,3/4+z'
  '3/4-y,1/4-x,1/4+z'
  '1/4+y,3/4+x,3/4-z'
  '3/4+y,1/4+x,1/4-z'
  '1/4+y,3/4-x,1/4-z'
  '3/4+y,1/4-x,3/4-z'
  '1/4-y,3/4+x,1/4+z'
  '3/4-y,1/4+x,3/4+z'
  '1/2+x,-y,z'
  '+x,1/2-y,1/2+z'
  '1/2-x,y,-z'
  '-x,1/2+y,1/2-z'
  '1/2+x,y,1/2-z'
  '+x,1/2+y,-z'
  '1/2-x,-y,1/2+z'
  '-x,1/2-y,+z'
  '1/4+y,1/4+x,1/4+z'
  '3/4+y,3/4+x,3/4+z'
  '1/4-y,1/4-x,1/4-z'
  '3/4-y,3/4-x,3/4-z'
  '1/4-y,1/4+x,3/4-z'
  '3/4-y,3/4+x,1/4-z'
  '1/4+y,1/4-x,3/4+z'
  '3/4+y,3/4-x,1/4+z'
  '-x,y,1/2+z'
  '1/2-x,1/2+y,+z'
  'x,-y,1/2-z'
  '1/2+x,1/2-y,-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
CaA1   0.36580   0.00000   0.25000   1.00000   0.01370
CaA2   0.00000   0.25000   0.12500   1.00000   0.01510
Mn3+B   0.00000   0.00000   0.00000   0.50300   0.01060
AlB   0.00000   0.00000   0.00000   0.49700   0.01060
Si1   0.11800   0.00000   0.25000   0.92000   0.01060
Si2   0.50000   0.25000   0.12500   0.11000   0.01900
O1   0.29300   0.71670   0.09790   1.00000   0.01650
O2   0.15560   0.55000   0.04940   1.00000   0.01890
O3   0.44420   0.35860   0.02220   1.00000   0.01860
H   0.45300   0.33300   0.08200   1.00000   0.04000