#------------------------------------------------------------------------------
#$Date: 2016-01-01 14:50:00 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172442 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/11/1541180.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_1541180
loop_
_publ_author_name
'Romming, C.'
'Petricek, V.'
'Kocharian, A.K.'
'Raade, G.'
'Bailey, S.W.'
_publ_section_title
;
 The crystal structure of kamphaugite-(Y)
;
_journal_name_full               'European Journal of Mineralogy (1,1989-)'
_journal_page_first              685
_journal_page_last               690
_journal_volume                  5
_journal_year                    1993
_chemical_formula_sum            'C2 H3 Ca0.93 Gd0.1 O8 Y0.97'
_chemical_name_systematic
'(Ca0.93 Y0.07) (Y0.9 Gd0.1) (C O3)2 (O H) (H2 O)'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.434
_cell_length_b                   7.434
_cell_length_c                   21.793
_cell_volume                     1204.376
_citation_journal_id_ASTM        EJMIER
_cod_data_source_file            Romming_EJMIER_1993_1675.cif
_cod_data_source_block           C2H3Ca0.93Gd0.1O8Y0.97
_cod_database_code               1541180
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+3/4
x+1/2,-y+1/2,-z+3/4
y,x,-z
-x+1/2,y+1/2,-z+1/4
-y,-x,-z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Gd1 Gd+3 0.99024 0.7681 0.56887 0.1 0.0
O5 O-2 0.8047 0.5036 0.5387 1 0.0
O4 O-2 0.5441 0.4521 0.5873 1 0.0
O3 O-2 0.691 0.7035 0.6021 1 0.0
Ca1 Ca+2 0.9975 0.2618 0.5633 0.93 0.0
O2 O-2 0.0146 0.303 0.2776 1 0.0
C1 C+4 0.6734 0.5487 0.5767 1 0.0
O7 O-2 0.2867 0.8093 0.6096 1 0.0
Y2 Y+2 0.9975 0.2618 0.5633 0.07 0.0
O8 O-2 0.2109 0.0255 0.5468 1 0.0
Y1 Y+3 0.99024 0.7681 0.56887 0.9 0.0
C2 C+4 0.3251 0.9596 0.5864 1 0.0
O6 O-2 0.4672 0.042 0.6029 1 0.0
O1 O-2 0.8126 0.0108 0.5357 1 0.0
