#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/8/10/44/8104441.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_8104441
loop_
_publ_author_name
'Jansen, M.'
'Wu, G.Q.'
'Koenigstein, K.'
_publ_section_title
;
 Crystal structure of cesium ytterbium diphosphate
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              245
_journal_page_last               246
_journal_volume                  197
_journal_year                    1991
_chemical_formula_sum            'Cs O7 P2 Yb'
_chemical_name_systematic        'Cs Yb P2 O7'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 104.35
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.853
_cell_length_b                   10.771
_cell_length_c                   8.697
_cell_volume                     712.681
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Jansen_ZEKRDZ_1991_1485.cif
_cod_data_source_block           Cs1O7P2Yb1
_cod_original_cell_volume        712.6809
_cod_original_formula_sum        'Cs1 O7 P2 Yb1'
_cod_database_code               8104441
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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 0.99961 -0.49993 0.72913 1 0.0
O4 O-2 0.85137 -0.41193 1.00228 1 0.0
O3 O-2 0.60748 -0.56976 0.72805 1 0.0
Cs1 Cs+1 0.80117 0.19357 0.94996 1 0.0
O7 O-2 0.6767 -0.43996 0.20595 1 0.0
O2 O-2 0.66888 -0.39407 0.48351 1 0.0
O1 O-2 0.9153 -0.22469 0.73683 1 0.0
O5 O-2 0.56272 -0.26646 0.77567 1 0.0
P1 P+5 0.86865 -0.09597 0.67617 1 0.0
Yb1 Yb+3 0.76309 -0.4 0.7452 1 0.0
P2 P+5 0.57247 -0.37034 0.31692 1 0.0
