data_global
_chemical_name_mineral 'Elpidite'
loop_
_publ_author_name
'Grigor'eva A A'
'Zubkova N V'
'Pekov I V'
'Kolitsch U'
'Pushcharovsky D Y'
'Vigasina M F'
'Giester G'
'Dordevic T'
'Tillmanns E'
'Chukanov N V'
_journal_name_full 'Crystallography Reports'
_journal_volume 56 
_journal_year 2011
_journal_page_first 832
_journal_page_last 841
_publ_section_title
;
 Crystal chemistry of elpidite from Kahn Bogdo (Mongolia)
 and its K- and Rb-exchanged forms
;
_database_code_amcsd 0018522
_chemical_compound_source 'Kahn Bogdo, Mongolia'
_chemical_formula_sum 'Na2 Zr Si6 O18 H6'
_cell_length_a 7.1312
_cell_length_b 14.6853
_cell_length_c 14.6349
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1532.623
_exptl_crystal_density_diffrn      2.599
_symmetry_space_group_name_H-M 'P b c m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  'x,1/2-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '-x,1/2+y,z'
  'x,1/2-y,-z'
  'x,y,1/2-z'
  '-x,-y,1/2+z'
  '-x,-y,-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
Na(1)   0.44490   0.23175   0.75000   1.00000   0.04770
Na(2)  -0.00275   0.25000   0.50000   1.00000   0.01510
Zr   0.49658   0.25000   0.50000   1.00000   0.00804
Si(1)   0.77343   0.38628   0.64604   1.00000   0.01028
Si(2)   0.50598   0.04735   0.64184   1.00000   0.01005
Si(3)   0.21944   0.39130   0.64439   1.00000   0.01016
O(1)   0.99571   0.40384   0.63913   1.00000   0.01790
O(2)   0.71950   0.35610   0.75000   1.00000   0.01830
O(3)   0.70950   0.30908   0.57729   1.00000   0.01780
O(4)   0.67790   0.48448   0.62422   1.00000   0.01950
O(5)   0.52100   0.07108   0.75000   1.00000   0.01920
O(6)   0.49255   0.14009   0.58783   1.00000   0.01770
O(7)   0.30720   0.48949   0.61315   1.00000   0.01670
O(8)   0.28260   0.37415   0.75000   1.00000   0.01770
O(9)   0.28930   0.30986   0.58199   1.00000   0.01740
Wat(1)   0.00800   0.11320   0.58101   1.00000   0.03440
Wat(2)   0.12130   0.18830   0.75000   1.00000   0.06500