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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/1/52/97/1529798.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_1529798
loop_
_publ_author_name
'Degtyarev, P.A.'
'Korytnaya, F.M.'
'Kovba, L.M.'
'Pokrovskii, A.N.'
_publ_section_title
;
 Crystal structure of the anhydrous double sulfate of potassium and
 neodymium K Nd (S O4)2
;
_journal_name_full               'Vestnik Moskovskogo Universiteta, Khimiya'
_journal_page_first              705
_journal_page_last               708
_journal_volume                  18
_journal_year                    1977
_chemical_formula_sum            'K Nd O8 S2'
_chemical_name_systematic        'K Nd (S O4)2'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                92.03
_cell_angle_beta                 96.87
_cell_angle_gamma                90.8
_cell_formula_units_Z            2
_cell_length_a                   6.91
_cell_length_b                   5.3
_cell_length_c                   9.05
_cell_volume                     328.797
_citation_journal_id_ASTM        VMUKA5
_cod_data_source_file            Degtyarev_VMUKA5_1977_278.cif
_cod_data_source_block           K1Nd1O8S2
_cod_original_cell_volume        328.7966
_cod_original_formula_sum        'K1 Nd1 O8 S2'
_cod_database_code               1529798
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-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
O7 O-2 0.434 0.209 0.806 1 0.0
Nd1 Nd+3 0.6956 0.2536 0.2801 1 0.0
O5 O-2 0.194 0.463 0.901 1 0.0
O4 O-2 0.181 0.01 0.922 1 0.0
O1 O-2 0.19 0.399 0.563 1 0.0
K1 K+1 0.8226 0.2749 0.8145 1 0.0
O6 O-2 0.055 0.224 0.32 1 0.0
S2 S+6 0.2222 0.2256 0.4393 1 0.0
S1 S+6 0.3161 0.2374 0.9283 1 0.0
O2 O-2 0.747 0.029 0.507 1 0.0
O3 O-2 0.396 0.316 0.378 1 0.0
O8 O-2 0.429 0.27 0.073 1 0.0
