#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/70/1537033.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_1537033
loop_
_publ_author_name
'Richter, K.'
'Mattes, R.'
_publ_section_title
;
 Darstellung, Ramanspektren und Kristallstrukturen von V2O3(SO4)2,
 K(VO(SO4)2) und NH4(VO(SO4)2)
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              158
_journal_page_last               164
_journal_volume                  611
_journal_year                    1992
_chemical_formula_sum            'K O9 S2 V'
_chemical_name_systematic        'K (V O (S O4)2)'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.953
_cell_length_b                   8.696
_cell_length_c                   16.27
_cell_volume                     700.770
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Richter_ZAACAB_1992_108.cif
_cod_data_source_block           K1O9S2V1
_cod_original_cell_volume        700.7699
_cod_original_formula_sum        'K1 O9 S2 V1'
_cod_database_code               1537033
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,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
O6 O-2 0.2609 0.8942 0.2659 1 0.0
K1 K+1 0.7811 0.589 0.4528 1 0.0
O7 O-2 0.7261 0.2579 0.103 1 0.0
O4 O-2 0.0371 0.0829 0.3866 1 0.0
O9 O-2 0.295 0.3154 0.3267 1 0.0
O1 O-2 0.7771 0.2854 0.4368 1 0.0
V1 V+5 0.264 0.1469 0.3032 1 0.0
O8 O-2 0.5381 0.142 0.2231 1 0.0
O5 O-2 -0.0064 0.6624 0.2883 1 0.0
O2 O-2 0.5493 0.065 0.3631 1 0.0
S1 S+6 0.7523 0.1212 0.4261 1 0.0
S2 S+6 0.743 0.2477 0.1909 1 0.0
O3 O-2 0.7387 0.03 0.498 1 0.0
