data_global
_chemical_name_mineral 'Elpidite-Rb'
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 150 deg C
;
_database_code_amcsd 0018524
_chemical_compound_source 'Kahn Bogdo, Mongolia'
_chemical_formula_sum 'Rb1.769 Na.06 Zr Si6 O15.908 H1.816'
_cell_length_a 14.2999
_cell_length_b 14.4408
_cell_length_c 14.7690
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 3049.828
_exptl_crystal_density_diffrn      2.913
_symmetry_space_group_name_H-M 'C m c a'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,1/2-y,1/2+z'
  '1/2+x,-y,1/2+z'
  '-x,1/2+y,1/2-z'
  '1/2-x,+y,1/2-z'
  '-x,y,z'
  '1/2-x,1/2+y,z'
  'x,-y,-z'
  '1/2+x,1/2-y,-z'
  'x,1/2+y,1/2-z'
  '1/2+x,+y,1/2-z'
  '-x,1/2-y,1/2+z'
  '1/2-x,-y,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-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
Rb(1)   0.50000   0.25090   0.50930   0.07900   0.03500
Rb(2)   0.50000   0.13663   0.58254   0.75000   0.03400
Rb(3)   0.00000   0.36380   0.07055   0.61000   0.03770
Rb(4)   0.00000   0.38600   0.07330   0.22000   0.07300
Rb(5)   0.50000   0.13910   0.59700   0.11000   0.09900
Na   0.25000   0.23600   0.75000   0.06000   0.06700
Zr   0.25000   0.25000   0.50000   1.00000   0.01018
Si(1)   0.39070   0.10779   0.36275   1.00000   0.01381
Si(2)   0.38954   0.38148   0.65364   1.00000   0.01386
Si(3)   0.24382   0.04903   0.64483   1.00000   0.01324
O(1)   0.15220   0.19600   0.40971   1.00000   0.02540
O(2)   0.15210   0.01643   0.36650   1.00000   0.02490
O(3)   0.25000   0.08030   0.75000   1.00000   0.02700
O(4)   0.23320   0.13556   0.58132   1.00000   0.02530
O(5)   0.00000   0.10840   0.36700   1.00000   0.02960
O(6)   0.33710  -0.01030   0.62210   1.00000   0.02490
O(7)   0.37510   0.35660   0.75949   1.00000   0.02800
O(8)   0.36240   0.18580   0.43343   1.00000   0.02230
O(9)   0.50000   0.07900   0.37750   1.00000   0.02440
Wat(1)   0.06480   0.32940   0.24360   0.40400   0.04300
Wat(2)   0.00000   0.19000   0.73300   0.10000   0.04100