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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/1/53/02/1530215.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_1530215
loop_
_publ_author_name
'Krutik, V.M.'
'Pobedimskaya, E.A.'
'Pushcharovskii, D.Yu.'
'Belov, N.V.'
_publ_section_title
;
 Crystal structure of alpha-K Er (P O3)4
;
_journal_name_full               'Doklady Akademii Nauk SSSR'
_journal_page_first              607
_journal_page_last               610
_journal_volume                  252
_journal_year                    1980
_chemical_formula_sum            'Er K O12 P4'
_chemical_name_systematic        'K Er (P O3)4'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2c'
_symmetry_space_group_name_H-M   'P 1 1 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                91.96
_cell_formula_units_Z            2
_cell_length_a                   7.285
_cell_length_b                   8.012
_cell_length_c                   8.444
_cell_volume                     492.566
_citation_journal_id_ASTM        DANKAS
_cod_data_source_file            Krutik_DANKAS_1980_563.cif
_cod_data_source_block           Er1K1O12P4
_cod_original_cell_volume        492.5662
_cod_original_sg_symbol_Hall     'P 2yb (z,x,y)'
_cod_original_formula_sum        'Er1 K1 O12 P4'
_cod_database_code               1530215
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,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
O12 O-2 0.915 0.825 0.243 1 0.0
P1 P+5 0.4337 0.0979 0.3797 1 0.0
P2 P+5 0.6216 0.3962 0.2493 1 0.0
O9 O-2 0.17 0.385 0.255 1 0.0
O4 O-2 0.316 0.071 0.236 1 0.0
O1 O-2 0.545 0.275 0.384 1 0.0
O5 O-2 0.611 0.569 0.308 1 0.0
O10 O-2 0.969 0.528 0.457 1 0.0
K1 K+1 0.2733 0.7184 0.3065 1 0.0
O8 O-2 0.992 0.216 0.462 1 0.0
P4 P+5 0.8972 0.8964 0.0815 1 0.0
O6 O-2 0.83 0.344 0.241 1 0.0
O2 O-2 0.686 0.875 0.034 1 0.0
O7 O-2 0.537 0.347 0.095 1 0.0
O3 O-2 0.566 0.962 0.409 1 0.0
O11 O-2 0.964 0.069 0.05 1 0.0
P3 P+5 0.0005 0.3804 0.3543 1 0.0
Er1 Er+3 0.2346 0.242 0 1 0.0
