#------------------------------------------------------------------------------
#$Date$
#$Revision$
#$URL$
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9010676
loop_
_publ_author_name
'Quartieri, S.'
'Vezzalini, G.'
'Alberti, A.'
_publ_section_title
;
 Dachiardite from Hokiya-dake: evidence of a new topology
 Locality: Hokiya-dake, Japan
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              187
_journal_page_last               193
_journal_volume                  2
_journal_year                    1990
_chemical_formula_sum
'Al0.79 Ca0.64 H12.266 K0.23 Na0.15 O14.92 Si5.19'
_chemical_name_mineral           Dachiardite-Ca
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.056
_cell_angle_gamma                90
_cell_length_a                   18.625
_cell_length_b                   7.508
_cell_length_c                   10.247
_cell_volume                     1362.340
_[local]_cod_data_source_file    05770.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig
'Ca.64 K.23 Na.15 Si5.19 Al.79 O14.92 H12.266'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2+x,1/2+y,z
x,-y,z
1/2+x,1/2-y,z
-x,y,-z
1/2-x,1/2+y,-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
CaC1 0.49020 0.23910 0.13350 0.32000 0.09499
KC2 0.54220 0.00000 0.53610 0.15000 0.07979
NaC2 0.54220 0.00000 0.53610 0.09000 0.07979
KC3 0.50000 0.25200 0.00000 0.08000 0.08359
NaC3 0.50000 0.25200 0.00000 0.06000 0.08359
SiT1 0.28720 0.20630 0.15780 0.87000 0.01900
AlT1 0.28720 0.20630 0.15780 0.05000 0.01900
SiT1M 0.28800 0.26600 0.16800 0.07000 0.02786
SiT2 0.19170 0.29590 0.35540 0.90000 0.02406
AlT2 0.19170 0.29590 0.35540 0.02000 0.02406
SiT2M 0.18800 0.23000 0.35600 0.08000 0.02786
SiT3 0.09640 0.00000 0.69950 0.64000 0.01267
AlT3 0.09640 0.00000 0.69950 0.28000 0.01267
SiT3M 0.08900 0.50000 0.69100 0.05000 0.02786
AlT3M 0.08900 0.50000 0.69100 0.03000 0.02786
SiT4 0.08090 0.00000 0.37920 0.61000 0.01267
AlT4 0.08090 0.00000 0.37920 0.31000 0.01267
SiT4M 0.07800 0.50000 0.37200 0.05000 0.02786
AlT4M 0.07800 0.50000 0.37200 0.03000 0.02786
O1 0.36360 0.32040 0.21810 0.92000 0.04306
O1M 0.37600 0.15200 0.22600 0.08000 0.05446
O2 0.11520 0.17910 0.32840 0.92000 0.03673
O2M 0.11300 0.31400 0.31600 0.08000 0.05446
O3 0.22640 0.25630 0.23380 1.00000 0.07346
O4 0.09910 0.00000 0.54400 0.92000 0.04306
O4M 0.08300 0.50000 0.52800 0.08000 0.05446
O5 0.16690 0.50000 0.34610 0.92000 0.04306
O5M 0.17100 0.00000 0.35600 0.08000 0.05446
O6 0.31070 0.00000 0.17690 0.92000 0.04179
O6M 0.32600 0.50000 0.19900 0.08000 0.05446
O7 0.25000 0.25000 0.00000 1.00000 0.07979
O8 0.25000 0.25000 0.50000 1.00000 0.07852
O9 0.01020 0.00000 0.70790 0.92000 0.02406
O9M 0.00400 0.50000 0.61100 0.08000 0.05446
Wat1 0.49080 0.00000 0.25650 0.92000 0.07979
Wat2 0.08350 0.00000 0.03360 0.54000 0.06333
Wat3 0.06890 0.13340 0.02170 0.23000 0.10259
Wat4 0.07430 0.60550 0.02620 0.26000 0.07092
Wat5 0.09190 0.50000 0.03240 0.48000 0.08992