#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000709.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9000709
_chemical_name 'Agrellite'
loop_
_publ_author_name
'Ghose S'
'Wan C'
_journal_name_full "American Mineralogist"
_journal_volume 64
_journal_year 1979
_journal_page_first 563
_journal_page_last 572
_publ_section_title
;
 Agrellite, Na(Ca,RE)2Si4O10F: A layer structure with silicate tubes
;
_chemical_formula_sum '(Ca1.905 Eu.095) Na Si4 F O10'
_cell_length_a 7.759
_cell_length_b 18.946
_cell_length_c 6.986
_cell_angle_alpha 89.88
_cell_angle_beta 116.65
_cell_angle_gamma 94.32
_cell_volume 914.669
_symmetry_space_group_name_H-M 'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca1   0.99796   0.21554   0.99620   0.85300
Eu1   0.99796   0.21554   0.99620   0.14700
Ca2   0.54176   0.28461   0.01966   0.97800
Eu2   0.54176   0.28461   0.01966   0.02200
Ca3   0.45521   0.72007   0.48010   0.99300
Eu3   0.45521   0.72007   0.48010   0.00700
Ca4   0.00155   0.78166   0.50022   0.98500
Eu4   0.00155   0.78166   0.50022   0.01500
Na1   0.23539   0.99102   0.86794   1.00000
Na2   0.26104   0.50234   0.13576   1.00000
Si1   0.20870   0.93103   0.35569   1.00000
Si2   0.30739   0.56807   0.65542   1.00000
Si3   0.48573   0.87795   0.21377   1.00000
Si4   0.02460   0.61933   0.79397   1.00000
Si5   0.16705   0.08998   0.33394   1.00000
Si6   0.67404   0.59022   0.34109   1.00000
Si7   0.48619   0.87771   0.77347   1.00000
Si8   0.02139   0.61974   0.23430   1.00000
F1   0.76070   0.76100   0.12680   1.00000
F2   0.23530   0.24510   0.35950   1.00000
O1   0.34530   0.93510   0.61380   1.00000
O2   0.16410   0.56390   0.39740   1.00000
O3   0.10280   0.00480   0.30230   1.00000
O4   0.58910   0.50650   0.29600   1.00000
O5   0.34830   0.93520   0.23560   1.00000
O6   0.17220   0.56400   0.78040   1.00000
O7   0.06200   0.86340   0.28220   1.00000
O8   0.45430   0.63550   0.72560   1.00000
O9   0.39380   0.79900   0.19010   1.00000
O10   0.11020   0.69910   0.81690   1.00000
O11   0.51300   0.90640   0.00720   1.00000
O12   0.99580   0.59130   0.00120   1.00000
O13   0.70130   0.89240   0.41170   1.00000
O14   0.81360   0.60010   0.59640   1.00000
O15   0.97430   0.12950   0.23680   1.00000
O16   0.49840   0.63820   0.25620   1.00000
O17   0.70190   0.89220   0.79110   1.00000
O18   0.80790   0.60320   0.21800   1.00000
O19   0.39470   0.79860   0.70670   1.00000
O20   0.10820   0.69930   0.29620   1.00000