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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9004471.cif $
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#
# 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_9004471
_chemical_name 'Gerenite-(Y)'
loop_
_publ_author_name
'Groat L A'
_journal_name_full "The Canadian Mineralogist"
_journal_volume 36
_journal_year 1998
_journal_page_first 801
_journal_page_last 808
_publ_section_title
;
 The crystal structure of gerenite-(Y), (Ca,Na)2(Y,REE)3Si6O18.2H2O,
 a cyclosilicate mineral
;
_chemical_formula_sum 'Si6 Y3 Ca2 O20 H4'
_cell_length_a 9.257
_cell_length_b 9.684
_cell_length_c 5.520
_cell_angle_alpha 97.36
_cell_angle_beta 100.52
_cell_angle_gamma 116.57
_cell_volume 422.577
_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
Si1   0.36470   0.25080   0.38250
Si2   0.11950   0.36800   0.10210
Si3   0.75950   0.12510   0.76880
Y1   0.50000   0.50000   0.00000
Y2   0.78140   0.36420   0.31710
Ca   0.62110   0.93290   0.17300
O1   0.66990   0.15540   0.97750
O2   0.59810   0.70880   0.31890
O3   0.52210   0.34370   0.26960
O4   0.96110   0.21830   0.88950
O5   0.76000   0.51450   0.03940
O6   0.70810   0.16250   0.50400
O7   0.05360   0.44440   0.30620
O8   0.29370   0.06440   0.27600
O9   0.22380   0.29350   0.24800
Wat   0.90810   0.99840   0.26750