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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/61/1526108.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_1526108
loop_
_publ_author_name
'Goh, E.-Y.'
'Kim, E.-J.'
'Kim, S.-J.'
_publ_section_title
;
 Structure modification on quaternary rare earth thiophosphates: Na Yb P2
 S6, Na Sm P2 S6 and K Sm P2 S7
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              195
_journal_page_last               204
_journal_volume                  160
_journal_year                    2001
_chemical_formula_sum            'Na P2 S6 Yb'
_chemical_name_systematic        'Na Yb (P2 S6)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                87.17
_cell_angle_beta                 87.62
_cell_angle_gamma                88.3
_cell_formula_units_Z            2
_cell_length_a                   6.8241
_cell_length_b                   7.0371
_cell_length_c                   9.107
_cell_volume                     436.258
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Goh_JSSCBI_2001_1613.cif
_cod_data_source_block           Na1P2S6Yb1
_cod_original_cell_volume        436.2579
_cod_original_formula_sum        'Na1 P2 S6 Yb1'
_cod_database_code               1526108
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
S6 S-2 0.2971 0.7084 0.0707 1 0.0
P2 P+4 0.35 0.964 0.9731 1 0.0
S4 S-2 0.2977 0.7041 0.441 1 0.0
S2 S-2 0.8762 0.5191 0.2402 1 0.0
S1 S-2 0.653 0.0268 0.2489 1 0.0
P1 P+4 0.0659 0.6087 0.5645 1 0.0
S5 S-2 0.1671 0.1665 0.0575 1 0.0
Yb1 Yb+3 0.0273 0.8814 0.2559 1 0.0
Na1 Na+1 0.4683 0.3977 0.2677 1 0.0
S3 S-2 0.1464 0.1807 0.4405 1 0.0
