#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9005138.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_9005138
loop_
_publ_author_name
'Romming C'
'Kocharian A K'
'Raade G'
_publ_section_title
;
 The crystal structure of kamphaugite-(Y)
;
_journal_name_full               'European Journal of Mineralogy'
_journal_page_first              685
_journal_page_last               690
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum            'Y Ca C2 O8 H3'
_chemical_name_mineral           Kamphaugite-(Y)
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.434
_cell_length_b                   7.434
_cell_length_c                   21.793
_cell_volume                     1204.376
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,x,-z
1/2-y,1/2+x,1/4+z
1/2-x,1/2+y,1/4-z
-x,-y,1/2+z
-y,-x,1/2-z
1/2+y,1/2-x,3/4+z
1/2+x,1/2-y,3/4-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Y1 0.99024 0.76810 0.56887 0.00870
Ca1 0.99750 0.26180 0.56330 0.00740
C1 0.67340 0.54870 0.57670 0.01300
C2 0.32510 0.95960 0.58640 0.00900
O-H1 0.81260 0.01080 0.53570 0.01200
WatO2 0.01460 0.30300 0.27760 0.01900
O11 0.69100 0.70350 0.60210 0.01500
O12 0.54410 0.45210 0.58730 0.02500
O13 0.80470 0.50360 0.53870 0.02200
O21 0.46720 0.04200 0.60290 0.02200
O22 0.28670 0.80830 0.60960 0.01800
O23 0.21090 0.02550 0.54680 0.01600