#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/52/66/1526630.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_1526630
loop_
_publ_author_name
'Sieke, C.'
'Hartenbach, I.'
'Schleid, T.'
_publ_section_title
;
 Zur Dimorphie von Nd3 Cl (Si O4)2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2236
_journal_page_last               2239
_journal_volume                  626
_journal_year                    2000
_chemical_formula_sum            'Cl Nd3 O8 Si2'
_chemical_name_systematic        'Nd3 Cl (Si O4)2'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.0936
_cell_length_b                   18.157
_cell_length_c                   6.3148
_cell_volume                     813.337
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Sieke_ZAACAB_2000_780.cif
_cod_data_source_block           Cl1Nd3O8Si2
_cod_original_cell_volume        813.3367
_cod_original_formula_sum        'Cl1 Nd3 O8 Si2'
_cod_database_code               1526630
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,z
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
O1 O-2 0.0167 0.0316 0.779 1 0.0
Nd2 Nd+3 0.30866 0.25 0.88105 1 0.0
O4 O-2 0.0483 0.1745 0.7708 1 0.0
Si1 Si+4 0.0353 0.0999 0.6196 1 0.0
Nd1 Nd+3 0.02641 0.09061 0.12464 1 0.0
O2 O-2 0.2063 0.095 0.4404 1 0.0
Cl1 Cl-1 0.0574 0.25 0.2359 1 0.0
O3 O-2 0.351 0.119 0.0275 1 0.0
