data_global
_amcsd_formula_title 'KNaCa2Si8O19*5H2O'
loop_
_publ_author_name
'Cadoni M'
'Ferraris G'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 21 
_journal_year 2009
_journal_page_first 485
_journal_page_last 493
_publ_section_title
;
 Two new members of the rhodesite mero-plesiotype series
 close to delhayelite and hydrodelhayelite:
 synthesis and crystal structure
 Note: Sample TRO3
;
_database_code_amcsd 0007280
_chemical_formula_sum 'K Na Ca2 Si8 O24 H10'
_cell_length_a 6.5850
_cell_length_b 23.776
_cell_length_c 7.0250
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1099.869
_exptl_crystal_density_diffrn      2.298
_symmetry_space_group_name_H-M 'P n 21 m'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,1/2+y,1/2+z'
  'x,y,-z'
  '-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
K   0.05750   0.25250   0.00000   1.00000   0.04100
Na   0.49700   0.00180   0.23700   0.50000   0.06500
Ca1   0.02280  -0.00230   0.00000   1.00000   0.01600
Ca2  -0.01790   0.00950   0.50000   1.00000   0.01200
Si1   0.21330   0.11880   0.21580   1.00000   0.01400
Si2   0.21230   0.38880   0.22170   1.00000   0.01300
Si3   0.96070   0.18610   0.50000   1.00000   0.00600
Si4   0.95650   0.31960   0.50000   1.00000   0.01700
Si5   0.57440   0.11190   0.50000   1.00000   0.01600
Si6   0.57080   0.39490   0.50000   1.00000   0.01000
O1   0.09540   0.06120   0.24190   1.00000   0.01900
O2   0.14410   0.45180   0.24070   1.00000   0.03700
O3   0.09730   0.17260   0.31840   1.00000   0.02400
O4   0.05990   0.34240   0.30700   1.00000   0.03100
O5   0.26100   0.13660   0.00000   1.00000   0.02300
O6   0.23020   0.36700   0.00000   1.00000   0.00600
O7   0.42880   0.13180   0.32040   1.00000   0.02500
O8   0.44300   0.39230   0.30690   1.00000   0.03200
O9   0.73600   0.16140   0.50000   1.00000   0.06400
O10   0.73500   0.34280   0.50000   1.00000   0.02300
O11   0.94050   0.25390   0.50000   1.00000   0.03000
O12   0.68000   0.45310   0.50000   1.00000   0.04400
O13   0.65700   0.05140   0.50000   1.00000   0.05500
Wat1   0.70800   0.05280   0.00000   1.00000   0.06000
Wat2   0.66000   0.46910   0.00000   1.00000   0.06800
Wat3   0.45600   0.26030   0.20700   0.50000   0.05600
Wat4   0.69800   0.33150   0.00000   1.00000   0.08700
Wat5   0.75000   0.17300   0.00000   1.00000   0.07600