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
 Note: Rb-exchanged at 90 deg C
;
_database_code_amcsd 0018523
_chemical_compound_source 'Kahn Bogdo, Mongolia'
_chemical_formula_sum 'Na1.581 Rb.2 Zr Si6 O17.69 H5.38'
_cell_length_a 7.1280
_cell_length_b 14.644
_cell_length_c 14.642
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1528.368
_exptl_crystal_density_diffrn      2.615
_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)   0.44210   0.23150   0.75000   0.66100   0.03430
Na(2)  -0.00290   0.25000   0.50000   0.92000   0.02500
Rb  -0.00400   0.14100   0.57890   0.10000   0.03700
Zr   0.49697   0.25000   0.50000   1.00000   0.00939
Si(1)   0.77407   0.38617   0.64615   1.00000   0.01320
Si(2)   0.50553   0.04747   0.64216   1.00000   0.01240
Si(3)   0.21932   0.39087   0.64457   1.00000   0.01280
O(1)   0.99610   0.40400   0.63830   1.00000   0.02420
O(2)   0.72070   0.35600   0.75000   1.00000   0.02260
O(3)   0.70920   0.30910   0.57750   1.00000   0.02210
O(4)   0.67820   0.48460   0.62500   1.00000   0.02320
O(5)   0.51810   0.07270   0.75000   1.00000   0.02190
O(6)   0.49290   0.13950   0.58720   1.00000   0.02370
O(7)   0.30860   0.48920   0.61480   1.00000   0.02210
O(8)   0.28080   0.37230   0.75000   1.00000   0.02250
O(9)   0.28970   0.30970   0.58160   1.00000   0.02180
Wat(1)   0.00880   0.11450   0.58050   0.91000   0.02570
Wat(2)   0.12510   0.18690   0.75000   0.67000   0.04700
Wat(3)   0.01400   0.17600   0.79700   0.10000   0.04000