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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/02/01/2020189.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2020189
loop_
_publ_author_name
'Gravereau, P.'
'Es-Sakhi, B.'
'Fouassier, C.'
_publ_section_title
;
 La3 (Si O4)2 Cl: A new structural type of rare-earth chloroorthosilicate
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              1884
_journal_page_last               1887
_journal_volume                  44
_journal_year                    1988
_chemical_formula_sum            'Cl La3 O8 Si2'
_chemical_name_systematic        'La3 (Si O4)2 Cl'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 98.35
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.512
_cell_length_b                   6.526
_cell_length_c                   8.844
_cell_volume                     828.695
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Gravereau_ACSCEE_1988_1615.cif
_cod_data_source_block           Cl1La3O8Si2
_cod_original_formula_sum        'Cl1 La3 O8 Si2'
_cod_database_code               2020189
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,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
O2 O-2 0.259 0.0542 0.0809 1 0.0
O1 O-2 0.0785 0.1206 0.033 1 0.0
O4 O-2 0.1546 0.119 0.3485 1 0.0
Cl1 Cl-1 0 0.4731 0.25 1 0.0
La1 La+3 0.18452 0.39635 0.16975 1 0.0
Si1 Si+4 0.3417 0.4441 0.4736 1 0.0
La2 La+3 0.5 0.4315 0.25 1 0.0
O3 O-2 0.3551 0.2649 0.3539 1 0.0
