data_global
_chemical_name_mineral 'Hilairite-(Ca)'
loop_
_publ_author_name
'Zubkova N V'
'Kolitsch U'
'Pekov I V'
'Turchkova A G'
'Vigasina M F'
'Pushcharovsky D Y'
'Tillmanns E'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 21 
_journal_year 2009
_journal_page_first 495
_journal_page_last 506
_publ_section_title
;
 Crystal chemistry of Rb-, Sr-, Ba-, Ca- and Pb-exchanged forms of natural hilairite
 Note: sample was synthesized by cation exchange at 150 C
;
_database_code_amcsd 0007284
_chemical_compound_source 'Kirovskii  mine, Khibiny alkaline complex, Kola Peninsula, Russia'
_chemical_formula_sum 'Ca.826 Zr Si3 O12 H6'
_cell_length_a 10.456
_cell_length_b 10.456
_cell_length_c 7.995
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 756.973
_exptl_crystal_density_diffrn      2.676
_symmetry_space_group_name_H-M 'R 3'
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'
  '-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
Ca1a   0.00000   0.00000   0.65406   0.76900   0.04400
Ca1b   0.00000   0.00000   0.57000   0.05700   0.04400
Zr   0.00000   0.00000   0.05443   1.00000   0.01018
Si   0.41057   0.41756   0.52857   1.00000   0.01112
O1   0.09220   0.17790   0.88480   1.00000   0.01610
O2  -0.09290  -0.19120   0.19000   1.00000   0.01670
O3   0.65880   0.01660   0.01760   1.00000   0.01890
Wat   0.01120   0.20110   0.50250   1.00000   0.06440