#------------------------------------------------------------------------------
#$Date: 2024-05-16 09:36:09 +0300 (Thu, 16 May 2024) $
#$Revision: 291877 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/20/9012056.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9012056
loop_
_publ_author_name
'Brunton, G.'
_publ_section_title
;
 Refinement of the structure of K2Cr2O7
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              271
_journal_page_last               274
_journal_paper_doi               10.1016/0025-5408(73)90004-4
_journal_volume                  8
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Cr2 K2 O7'
_chemical_name_mineral           Lopezite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                98.03
_cell_angle_beta                 90.88
_cell_angle_gamma                96.18
_cell_length_a                   7.4200
_cell_length_b                   13.399
_cell_length_c                   7.3845
_cell_formula_units_Z            4
_cell_volume                     722.403
_database_code_amcsd             0014228
_exptl_crystal_density_diffrn    2.705
_cod_original_formula_sum        'K2 Cr2 O7'
_cod_database_code               9012056
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K1 0.66919 0.14053 0.10380
K2 0.23292 0.15052 0.74983
K3 0.34729 0.63594 0.30460
K4 0.08500 0.34153 0.33748
Cr1 0.19317 0.08615 0.20690
Cr2 0.76885 0.10722 0.59195
Cr3 0.84734 0.58327 0.18665
Cr4 0.57394 0.38661 0.18305
O1 0.32500 0.05700 0.04100
O2 0.02950 0.13950 0.13120
O3 0.10680 0.97320 0.29190
O4 0.30490 0.16300 0.36520
O5 0.38780 0.85080 0.27930
O6 0.09030 0.79810 0.44510
O7 0.31530 0.95470 0.59790
O8 0.70370 0.47740 0.07030
O9 0.48160 0.30000 0.02410
O10 0.70660 0.33620 0.31130
O11 0.42430 0.43950 0.30490
O12 -0.00030 0.54320 0.30790
O13 0.72620 0.65200 0.32290
O14 0.93880 0.64870 0.03980
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014228
