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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/48/1534853.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_1534853
loop_
_publ_author_name
'Maafi, K.'
'Glaum, R.'
'Gruehn, R.'
_publ_section_title
;
 Beitraege zum thermischen Verhalten und zur Kristallchemie von
 wasserfreien Phosphaten. XXXI. (Mg1-x Crx)2 P2 O7, Ca Cr P2 O7, Sr Cr P2
 O7 und Ba Cr P2 O7 - neue Diphosphate des zweiwertigen Chroms
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              2081
_journal_page_last               2090
_journal_volume                  627
_journal_year                    2001
_chemical_formula_sum            'Ca Cr O7 P2'
_chemical_name_systematic        'Ca Cr (P2 O7)'
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                83.12
_cell_angle_beta                 88.37
_cell_angle_gamma                67.72
_cell_formula_units_Z            2
_cell_length_a                   6.312
_cell_length_b                   6.499
_cell_length_c                   6.916
_cell_volume                     260.590
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Maafi_ZAACAB_2001_130.cif
_cod_data_source_block           Ca1Cr1O7P2
_cod_original_cell_volume        260.5902
_cod_original_formula_sum        'Ca1 Cr1 O7 P2'
_cod_database_code               1534853
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
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 0.7479 0.2036 0.7773 1 0.0
Cr1 Cr+2 0.27136 0.11068 0.1573 1 0.0
O2 O-2 0.0413 0.3796 0.7606 1 0.0
O7 O-2 -0.075 0.2487 0.0847 1 0.0
O4 O-2 0.3548 0.3762 0.5445 1 0.0
O3 O-2 0.3866 0.0226 0.7659 1 0.0
O1 O-2 0.1247 0.1428 0.4817 1 0.0
P2 P+5 0.82695 0.35439 0.88105 1 0.0
Ca1 Ca+2 0.71559 0.26306 0.3844 1 0.0
P1 P+5 0.23503 0.22707 0.63119 1 0.0
O5 O-2 0.6595 0.5949 0.8756 1 0.0
