#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/02/1540210.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_1540210
loop_
_publ_author_name
'Karpov, O.G.'
'Dorokhova, G.I.'
_publ_section_title
;
 Crystal structure of a new polymorphic modification of K Er P4 O12
;
_journal_name_full               Kristallografiya
_journal_page_first              1006
_journal_page_last               1008
_journal_volume                  34
_journal_year                    1989
_chemical_formula_sum            'Er K O12 P4'
_chemical_name_systematic        'K Er (P4 O12)'
_space_group_IT_number           20
_symmetry_space_group_name_Hall  'C 2c 2'
_symmetry_space_group_name_H-M   'C 2 2 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.75
_cell_length_b                   10.325
_cell_length_c                   17.31
_cell_volume                     2100.028
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Karpov_KRISAJ_1989_973.cif
_cod_data_source_block           Er1K1O12P4
_cod_original_cell_volume        2100.027
_cod_original_formula_sum        'Er1 K1 O12 P4'
_cod_database_code               1540210
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,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
P3 P+5 0 0.3532 0.25 1 0.0
O1 O-2 0.033 0.274 0.181 1 0.0
O10 O-2 0.206 0.403 0.041 1 0.0
P2 P+5 0.3497 0.3855 0.4071 1 0.0
O5 O-2 0.008 0.248 0.477 1 0.0
K1 K+1 0.1331 0.105 0.3832 1 0.0
O8 O-2 0.287 0.344 0.478 1 0.0
O11 O-2 0.26 0.382 0.192 1 0.0
Er1 Er+3 0.18645 0.21563 0.10754 1 0.0
O2 O-2 0.095 0.453 0.274 1 0.0
O7 O-2 0.1 0.017 0.097 1 0.0
O4 O-2 0.449 0.063 0.438 1 0.0
O12 O-2 0.227 0.082 0.223 1 0.0
P5 P+5 0.2306 0.4513 0.2642 1 0.0
O9 O-2 0.263 0.363 0.338 1 0.0
O3 O-2 0.447 0.285 0.386 1 0.0
O6 O-2 0.37 0.175 0.094 1 0.0
P4 P+5 0.3657 0 0.5 1 0.0
P1 P+5 0.4824 0.1964 0.0556 1 0.0
